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• A-Methylnaphthalene
IUPAC Name: 1-methylnaphthalene | CAS Registry Number: 90-12-0
Synonyms: 1-METHYLNAPHTHALENE, alpha-Methylnaphthalene, Naphthalene, 1-methyl-, Methyl naphthalene, Polymethylnaphthalene, .alpha.-Methylnaphthalene, 1-Methyl naphthalene, Naphthalene, methyl-, alpha-methyl naphthalenes, FEMA Number 3193, Naphthalene, alpha-methyl-, FEMA No. 3193, CCRIS 6151, M56808_ALDRICH, HSDB 5268, W319309_ALDRICH, 442430_SUPELCO, 45795_RIEDEL, WLN: L66J B1, NSC 3574

Molecular Formula: C11H10Molecular Weight: 142.197100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N

• ABTS
IUPAC Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid | CAS Registry Number: 30931-67-0
Synonyms: 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, 2,2'-Azinodi-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt, 6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt, 28752-68-3

Molecular Formula: C18H18N4O6S4Molecular Weight: 514.618720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: ZTOJFFHGPLIVKC-YAFCTCPESA-N

• Acerola
IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol | CAS Registry Number: 4097-22-7
Synonyms: dideoxyadenosine, ddAdo, 2',3'-Dideoxyadenosine, ddA (Antiviral), ddA & GM-CSF, CCRIS 428, MLS001055366, D1285_SIGMA, NSC-98700, ADENOSINE, 2',3'-DIDEOXY-, EINECS 223-853-2, NSC 98700, AIDS000003, AIDS000887, C10H13N5O2, AIDS-000003, AIDS-000887, DRG-0039, NSC98700, BRN 0619924

Molecular Formula: C10H13N5O2Molecular Weight: 235.242520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVXRAFOPTSTNLL-NKWVEPMBSA-N

• Acetonyl Acetone
IUPAC Name: hexane-2,5-dione | CAS Registry Number: 110-13-4
Synonyms: Acetonylacetone, 2,5-HEXANEDIONE, Acetonyl acetone, Diacetonyl, 2,5-Diketohexane, Acetone, acetonyl-, 2,5-Hexadione, acetone, acetonyl, 1,2-Diacetylethane, Hexane-2,5-dione, 2,5-Hexandione, ACAN, alpha,beta-Diacetylethane, .alpha.,.beta.-Diacetylethane, CCRIS 2919, MLS001065580, 165131_ALDRICH, WLN: 1V2V1, NSC 7621, 00770_FLUKA

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OJVAMHKKJGICOG-UHFFFAOYSA-N

• Acetyl Acetone (2 4-Pentanedione)
IUPAC Name: pentane-2,4-dione | CAS Registry Number: 123-54-6
Synonyms: Acetylacetone, 2,4-Pentanedione, Acetoacetone, Diacetylmethane, Pentanedione, 2,4-Dioxopentane, Pentane-2,4-dione, 2,4-Pentadione, ACAC, Acetone, acetyl-, Pentanedione-2,4, Acetyl 2-propanone, Hacac, Pentan-2,4-dione, 2-Propanone, acetyl-, ACETYL ACETONE, CCRIS 3466, NCIOpen2_000702, Benzil-related compound, 44, HSDB 2064

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YRKCREAYFQTBPV-UHFFFAOYSA-N

• Acetyl Butyryl
IUPAC Name: hexane-2,3-dione | CAS Registry Number: 3848-24-6
Synonyms: Acetylbutyryl, Acetyl butyryl, Butyryl acetyl, 2,3-HEXANEDIONE, Methyl propyl diketone, FEMA No. 2558, W255807_ALDRICH, 144169_ALDRICH, EINECS 223-350-8, NSC 31665, NSC31665, BRN 1699896, ZINC01663923, AI3-35989, LS-2795, 4-01-00-03687 (Beilstein Handbook Reference), C043231

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MWVFCEVNXHTDNF-UHFFFAOYSA-N

• Aldehyde C-11 Undecylenic
IUPAC Name: undec-10-enal | CAS Registry Number: 112-45-8
Synonyms: 10-Undecenal, Hendecenal, Undecylenic aldehyde, Undecylenaldehyde, 10-Hendecenal, 1-Undecen-10-al, 10-Undecylenealdehyde, Undec-10-enal, 10-UNDECEN-1-AL, C-11 aldehyde, undecylenic, Aldehyde C-11, undecylenic, FEMA No. 3095, WLN: VH9U1, W309508_ALDRICH, 132276_ALDRICH, EINECS 203-973-1, NSC 44900, NSC44900, BRN 1746480, LMFA06000067

Molecular Formula: C11H20OMolecular Weight: 168.275900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OFHHDSQXFXLTKC-UHFFFAOYSA-N

• Allyl Thiourea
IUPAC Name: prop-2-enylthiourea | CAS Registry Number: 109-57-9
Synonyms: Thiosinamine, N-Allylthiourea, ALLYLTHIOUREA, Thiosinamin, Rhodallin, Rhodalline, Aminosin, Allyl thiourea, 1-Allylthiourea, Thiocynamine, Thiosinaminum, Tiosinamin, Tiosinamine, Allylthiocarbamide, alylthiourea, 1-Allyl-2-thiourea, Thiourea, 2-propenyl-, Allylthiourea [INN], (2-Propenyl)thiourea, Aliltiourea [Spanish]

Molecular Formula: C4H8N2SMolecular Weight: 116.184720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: HTKFORQRBXIQHD-UHFFFAOYSA-N

• Alpha Olefin C14
IUPAC Name: tetradec-1-ene | CAS Registry Number: 1120-36-1
Synonyms: 1-TETRADECENE, n-Tetradec-1-ene, Tetradecane, 1-Tetradecylene, alpha-Tetradecene, Tetradec-1-ene, CCRIS 3785, T9805_ALDRICH, Alkenes, C14-18 alpha-, Alkenes, C14-20 alpha-, (C14-C18) alpha-Olefin, (C14-C20) alpha-Olefin, HSDB 1087, 442278_SUPELCO, Alkenes, C10-16 .alpha.-, 87187_FLUKA, 87189_FLUKA, EINECS 214-306-9, NSC 66434, NSC66434

Molecular Formula: C14H28Molecular Weight: 196.372120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HFDVRLIODXPAHB-UHFFFAOYSA-N

• Alpha-Naphthylacetic Acid
IUPAC Name: 2-naphthalen-1-ylacetic acid | CAS Registry Number: 86-87-3
Synonyms: Transplantone, Alphaspra, Fruitofix, Klingtite, Planofixe, Phyomone, Planofix, Primacol, Celmone, Stafast, Tekkam, 1-Naphthylacetic acid, Liqui-stik, Regenasol, Floramon, Hormofix, Nafusaku, Pimacol-Sol, Rhodofix, Agronaa

Molecular Formula: C12H10O2Molecular Weight: 186.206600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PRPINYUDVPFIRX-UHFFFAOYSA-N

• Amantadine Sulfate
IUPAC Name: adamantan-1-amine; sulfuric acid | CAS Registry Number: 31377-23-8
Synonyms: Amantadine sulphate (INNM), EINECS 250-604-5, Tricyclo(3.3.1.1(3,7))decan-1-amine, sulfate (2:1)

Molecular Formula: C20H36N2O4SMolecular Weight: 400.575840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: MYWTWSQFJLXGGQ-UHFFFAOYSA-N

• Amino Guanidine Bicarbonate
IUPAC Name: 2-aminoguanidine; carbonic acid | CAS Registry Number: 2582-30-1
Synonyms: Aminoguanidine bicarbonate, Aminoguanidinium bicarbonate, Aminoguanidine hydrocarbonate, Aminoguanidine carbonate (1:1), Aminoguanidine hydrogen carbonate, Aminoguanidium hydrogen carbonate, 1-Aminoguanidine bicarbonate, CCRIS 7133, N1-Aminoguanidine carbonate (1:1), NSC7887, Aminoguanidine hydrogencarbonate, Aminoguanidinium hydrogen carbonate, 109266_ALDRICH, Guanylhydrazine hydrogencarbonate, NSC 7887, EINECS 219-956-7, AIDS155866, Guanidine, amino-, hydrogen carbonate, AIDS-155866, Ba 51-090222 (VAN)

Molecular Formula: C2H8N4O3Molecular Weight: 136.109920 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: OTXHZHQQWQTQMW-UHFFFAOYSA-N

• Amyl Vinyl Carbinol
IUPAC Name: oct-1-en-3-ol | CAS Registry Number: 3391-86-4
Synonyms: Amyl vinyl carbinol, 1-Vinylhexanol, 1-OCTEN-3-OL, Vinyl amyl carbinol, Amylvinylcarbinol, Matsuica alcohol, Matsutake alcohol, 3-Hydroxy-1-octene, Pentylvinylcarbinol, Vinyl hexanol, 3-Octenol, Mushroom alcohol, Pentyl vinyl carbinol, Oct-1-ene-3-ol, Oct-1-en-3-ol, octene-1-ol-3, 1-Okten-3-ol [Czech], 1-Octen-3-ol (natural), Matsutake alcohol [Japanese], FEMA No. 2805

Molecular Formula: C8H16OMolecular Weight: 128.212040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VSMOENVRRABVKN-UHFFFAOYSA-N

• Azacyclonol Base
IUPAC Name: di(phenyl)-piperidin-4-ylmethanol | CAS Registry Number: 115-46-8
Synonyms: Azacyclonol, Frenquel, gamma-Pipradol, Prestwick_84, Azaciclonolo [DCIT], Azacyclonolum [INN-Latin], Azacyclonol [INN:BAN], Maybridge3_001033, Prestwick0_000093, Prestwick1_000093, Prestwick2_000093, Prestwick3_000093, alpha-(4-Piperidyl)benzhydrol, MER 17, Oprea1_114075, Oprea1_848733, BSPBio_000046, Diphenyl-piperidin-4-yl-methanol, MLS000558844, MLS001201777

Molecular Formula: C18H21NOMolecular Weight: 267.365440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZMISODWVFHHWNR-UHFFFAOYSA-N

• Bapta-Am
IUPAC Name: acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]anilino]acetate | CAS Registry Number: 126150-97-8
Synonyms: BAPTA-AM, BAPTA/AM, BSPBio_001472, A1076_SIGMA, Bio1_000382, 11696_FLUKA, CID2293, OR2370T, Bio1_000871, Bio1_001360, NCGC00163427-01, NCGC00163427-02, BRD-K40919711-001-02-4, 1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid tetrakis(acetoxymethyl ester), 1,2-bis(o-AMINOPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID TETRAACETOXYMETHYL ESTER, 1,2-bis(o-Aminophenoxy)ethane-N,N,N′,N′-tetraacetic Acid Tetra(acetoxymethyl) Ester

Molecular Formula: C34H40N2O18Molecular Weight: 764.684000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 20

InChIKey: YJIYWYAMZFVECX-UHFFFAOYSA-N

• Baranol
IUPAC Name: (3S)-3,7-dimethyloct-6-en-1-ol | CAS Registry Number: 7540-51-4
Synonyms: Citronellol, Rhodinol, Cephrol, Rodinol, Elenol, (-)-Citronellol, beta-Rhodinol, l-Citronellol, DL-Citronellol, (3S)-citronellol, Citronellol (natural), (S)-(-)-citronellol, CHEBI:88, FEMA No. 2309, 2,6-Dimethyl-2-octen-8-ol, CCRIS 7452, W509205_ALDRICH, 6-Octen-1-ol, 3,7-dimethyl-, 303488_ALDRICH, NSC 8779

Molecular Formula: C10H20OMolecular Weight: 156.265200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QMVPMAAFGQKVCJ-JTQLQIEISA-N

• Benzodihydropyrone
IUPAC Name: 3,4-dihydrochromen-2-one | CAS Registry Number: 119-84-6
Synonyms: hydrocoumarin, dihydrocoumarin, melilotin, melilotol, 2-chromanone, 3,4-dihydrocoumarin, Melilotine, melilotic lactone, Meliotine, Oxochroman, chroman-2-one, 1,2-benzodihydropyrone, Chroman, 2-oxo-, Dihydrobenzopyrone, hydrocoumar in, Usaf do-12, Benzopyranone, dihydro-, Melilotic acid lactone, 3,4-Dyhydrocoumarin, Coumarin, 3,4-dihydro-

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VMUXSMXIQBNMGZ-UHFFFAOYSA-N

• Benzophenone-1
IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone | CAS Registry Number: 131-56-6
Synonyms: Benzoresorcinol, Resbenzophenone, Inhibitor DHBP, Advastab 48, Uvistat 12, 4-Benzoyl resorcinol, Uvinol 400, Uvinul 400, Quinsorb 010, Syntase 100, Eastman Inhibitor DHPB, Dastib 263, DHBP cpd, 4-Benzoylresorcinol, Benzophenone, 2,4-dihydroxy-, 2,4-DIHYDROXYBENZOPHENONE, Enamine_001926, UF 1, USAF DO-28, USAF ND-54

Molecular Formula: C13H10O3Molecular Weight: 214.216700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZXDDPOHVAMWLBH-UHFFFAOYSA-N

• Benzyl-5-phenylbarbituric acid
IUPAC Name: 5-phenyl-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione | CAS Registry Number: 72846-00-5
Synonyms: 1-Benzyl-5-phenylbarbituric acid, EINECS 276-940-2, CID166340, ZINC00156356, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-

Molecular Formula: C17H14N2O3Molecular Weight: 294.304660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KCWWCWMGJOWTMY-UHFFFAOYSA-N

• Beta Methyl Naphthyl Ketone
IUPAC Name: 1-naphthalen-2-ylethanone | CAS Registry Number: 93-08-3
Synonyms: Acetonaphthone, 2'-Acetonaphthone, 2-Acetonaphthone, Oranger cyrstals, 2-Acetylnaphthalene, Oranger crystals, Cetone D, 2-Naphthyl methyl ketone, beta-Acetonaphthalene, Methyl 2-naphthyl ketone, beta-Acetylnaphthalene, Methyl beta-naphthyl ketone, Ketone, methyl 2-naphthyl, .beta.-Acetonaphthone, 1-(2-Naphthyl)ethanone, .beta.-Acetonaphthalene, .beta.-Acetylnaphthalene, beta-Naphthyl methyl ketone, Ethanone, 1-(2-naphthalenyl)-, 1-(Naphthyl)ethan-1-one

Molecular Formula: C12H10OMolecular Weight: 170.207200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XSAYZAUNJMRRIR-UHFFFAOYSA-N

• Beta-D-Ribopyranose 1,2,3,4-Tetraacetate
IUPAC Name: [(2S,3R,4R,5R)-2,3,5-triacetyloxyoxan-4-yl] acetate | CAS Registry Number: 4049-34-7
Synonyms: Lyxopyranose, tetraacetate, Tetra-O-acetyl-beta-D-ribopyranose, CID97336, EINECS 223-750-2, ZINC04557395

Molecular Formula: C13H18O9Molecular Weight: 318.276620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: MJOQJPYNENPSSS-LPWJVIDDSA-N

• Bis (Trimethylsiloxy) Ethane
IUPAC Name: trimethyl(2-trimethylsilyloxyethoxy)silane | CAS Registry Number: 7381-30-8
Synonyms: 1,2-Bis(trimethylsiloxy)ethane, 225800_ALDRICH, 15232_FLUKA, EINECS 230-950-3, Ethylene glycol bis(trimethylsilyl ether), 3,6-Dioxa-2,7-disilaoctane, 2,2,7,7-tetramethyl-, 2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctane

Molecular Formula: C8H22O2Si2Molecular Weight: 206.430080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JGWFUSVYECJQDT-UHFFFAOYSA-N

• Bis(Trichlorosilyl)-Ethane
IUPAC Name: trichloro(2-trichlorosilylethyl)silane | CAS Registry Number: 2504-64-5
Synonyms: 1,2-Bis(trichlorosilyl)ethane, Ethylenebis(trichlorosilane), 447048_ALDRICH, Silane, 1,2-ethanediylbis[trichloro-, CID75631, EINECS 219-710-9, Silane, 1,2-ethanediylbis(trichloro-, 1,1,1,4,4,4-Hexachlorodisilethylene

Molecular Formula: C2H4Cl6Si2Molecular Weight: 296.942160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WDVUXWDZTPZIIE-UHFFFAOYSA-N

• Bithionol Sulfoxide
IUPAC Name: 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol | CAS Registry Number: 844-26-8
Synonyms: Bithionoloxide, Distobitin, Sulphene, Bithionol sulfoxide, Bithionoloxidum, Bitionoloxido, Bitin S, Disto-5-cogla, Bitin-S, Bithionoloxidum [Latin], Bitionoloxido [Spanish], Bithionoloxide [INN], CCRIS 2045, C12H6Cl4O3S, UNII-6PL3DO2B30, Oprea1_667190, S8259_SIGMA, EINECS 212-679-2, 2,2'-Sulfinylbis(4,6-dichlorophenol), 6,6'-Sulfinylbis(2,4-dichlorophenol)

Molecular Formula: C12H6Cl4O3SMolecular Weight: 372.051240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RPAJWWXZIQJVJF-UHFFFAOYSA-N

• Boc-L-Amino acid
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid | CAS Registry Number: 34306-42-8
Synonyms: NSC335382, CID333522

Molecular Formula: C9H17NO4Molecular Weight: 203.235580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PNFVIPIQXAIUAY-UHFFFAOYSA-N

• Bornyl Acetate, Laevo
IUPAC Name: [(1S,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | CAS Registry Number: 5655-61-8
Synonyms: L-bornyl acetate, (-)-Bornyl acetate, L-Born-2-yl acetate, (−)-Bornyl acetate, 45855_FLUKA, EINECS 227-101-4, ZINC00388663, Borneol, acetate, (1S,2R,4S)-(-)-, endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-, 6626-35-3

Molecular Formula: C12H20O2Molecular Weight: 196.286000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KGEKLUUHTZCSIP-HOSYDEDBSA-N

• Brefeldin A
IUPAC Name: (1R,2S,3E,7S,11E,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one | CAS Registry Number: 20350-15-6
Synonyms: Ascotoxin, brefeldin A, Decumbin, Cyanein, Lunatin, Nectrolide, Synergisidin, Cyanaein, (+)-Brefeldin A, Pfizer B 174987, NSC56310, NSC89671, PFIZER B174987, NSC107456, NSC244390, AIDS003358, Antibiotic from Penicillium cyaneum, AIDS-003358, CID5351204, B 174987

Molecular Formula: C16H24O4Molecular Weight: 280.359360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KQNZDYYTLMIZCT-PNFJWZTBSA-N

• Bromomethyl-cyclopropane
IUPAC Name: bromomethylcyclopropane | CAS Registry Number: 7051-34-5
Synonyms: Bromomethylcyclopropane, (Bromomethyl)cyclopropane, Cyclopropylmethyl bromide, bromomethyl-cyclopropane, Cyclopropane, (bromomethyl)-, 242403_ALDRICH, BB_SC-4711, CID81503, EINECS 230-331-8, C2498G5

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AEILLAXRDHDKDY-UHFFFAOYSA-N

• Butadiene diepoxide
IUPAC Name: 2-(oxiran-2-yl)oxirane | CAS Registry Number: 1464-53-5
Synonyms: Diepoxybutane, Dioxybutadiene, Bioxirane, 2,2'-Bioxirane, Butane diepoxide, Bioxiran, Butadiene dioxide, D,L-Diepoxybutane, Butadiendioxyd, Erythritol anhydride, meso-Diepoxybutane, L-Diepoxybutane, Diepoxybutane, dl-, dl-Butadiene dioxide, 1,3-Butadiene diepoxide, meso-Butadiene epoxide, 1,2,3,4-Diepoxybutane, 2,4-Diepoxybutane, L(+)-Diepoxybutane, Butadiendioxyd [German]

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N

• Butanediol
IUPAC Name: butane-1,3-diol | CAS Registry Number: 107-88-0
Synonyms: 1,3-BUTANEDIOL, Butane-1,3-diol, Butylene glycol, 1,3-Butylene glycol, 1,3-Dihydroxybutane, beta-Butylene glycol, .beta.-Butylene glycol, Methyltrimethylene glycol, Caswell No. 128GG, 1-Methyl-1,3-propanediol, (RS)-1,3-Butandiol, ()-1,3-Butanediol, 1,3-Butandiol [German], 1,3-butanediol, DL-, 1,3-Butanediol, (R)-, 1,3-Butanediol, (S)-, 1,3-Butylenglykol [German], BUTANEDIOL,1,3-, HSDB 153, (S)-(+)-1,3-Butanediol

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PUPZLCDOIYMWBV-UHFFFAOYSA-N

• Butene-1,4-Diol
IUPAC Name: (E)-but-2-ene-1,4-diol | CAS Registry Number: 110-64-5
Synonyms: Butenediol, Penitricin C, 2-Butene-1,4-diol, Agrisynth B2D, 1,4-Butenediol, Caswell No. 120, 2-Buten-1,4-diol, 1,4-DIHYDROXY-2-BUTENE, 2-Butene, 1,4-dihydroxy-, trans-2-Butene-1,4-diol, HSDB 5540, NSC 1260, (2E)-but-2-ene-1,4-diol, EINECS 203-787-0, 2-Butene-1,4-diol, (E)-, 2-butene-1,4-diol, (2E)-, EPA Pesticide Chemical Code 220100, 2-BUTENE-1,4-DIOL (TRANS), AI3-07551, LS-2083

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ORTVZLZNOYNASJ-OWOJBTEDSA-N

• Butyl Carbitol
IUPAC Name: 2-(2-butoxyethoxy)ethanol | CAS Registry Number: 112-34-5
Synonyms: Butyl carbitol, Butoxydiglycol, Butoxyethoxyethanol, Butyl diglycol, Butyl dioxitol, Butyl digol, Dowanol DB, Jeffersol db, Butyldiglycol, Ektasolve DB, Poly-Solv DB, Glycol ether DB, BUCB, DB Solvent, Butoxydiethylene glycol, 2-(2-Butoxyethoxy)ethanol, Butoxy diethylene glycol, Diglycol monobutyl ether, Butyl Ethyl Cellosolve, Caswell No. 121B

Molecular Formula: C8H18O3Molecular Weight: 162.226720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N

• Butyl Carbitol Acetate
IUPAC Name: 2-(2-butoxyethoxy)ethyl acetate | CAS Registry Number: 124-17-4
Synonyms: Butoxyethoxyethyl acetate, Db acetate, Ektasolve DB acetate, Butyl diglycol acetate, Butyldiglycol acetate, Glycol ether DB aceatate, BUTYL CARBITOL ACETATE, Butylkarbitolacetat [Czech], 2-(2-Butoxyethoxy)ethyl acetate, Butyl diethylene glycol acetate, Diglycol monobutyl ether acetate, Ethanol, 2-(2-butoxyethoxy)-, acetate, HSDB 334, 2-(2-Butoxyethoxy)ethanol acetate, WLN: 4O2O2OV1, Diethylene glycol butyl ether acetate, NSC 5175, 32260_FLUKA, Diethyleneglycol monobutyl ether acetate, EINECS 204-685-9

Molecular Formula: C10H20O4Molecular Weight: 204.263400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VXQBJTKSVGFQOL-UHFFFAOYSA-N

• Butyl Cellosolve
IUPAC Name: 2-butoxyethanol | CAS Registry Number: 111-76-2
Synonyms: 2-Butoxyethanol, n-Butoxyethanol, Butyl glycol, Butoxyethanol, Butyl oxitol, Butyl cellosolve, Ethanol, 2-butoxy-, Dowanol EB, Gafcol EB, Jeffersol eb, Butyl cellu-sol, butylcellosolve, Glycol ether eb, Glycol butyl ether, Ektasolve EB, Poly-Solv EB, Butyglycol, Chimec NR, 3-Oxa-1-heptanol, .beta.-Butoxyethanol

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: POAOYUHQDCAZBD-UHFFFAOYSA-N

• Butyl Cellosolve Acetate
IUPAC Name: 2-butoxyethyl acetate | CAS Registry Number: 112-07-2
Synonyms: 2-Butoxyethyl acetate, Butoxyethyl acetate, Butylglycol acetate, Butyl glycol acetate, EGBEA, Ektasolve EB acetate, Butylcellosolve acetate, 2-Butoxyethylacetate, n-Butoxyethanol acetate, 2-Butoxyethanol acetate, Butyl cellosolve acetate, 2-Butyloxyethyl acetate, Butylcelosolvacetat [Czech], Ethanol, 2-butoxy-, acetate, 1-Acetoxy-2-butoxyethane, Glycol monobutyl ether acetate, HSDB 435, Acetic acid, 2-butoxyethyl ester, 307289_ALDRICH, 537519_ALDRICH

Molecular Formula: C8H16O3Molecular Weight: 160.210840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N

• Butyl Iodide
IUPAC Name: 1-iodobutane | CAS Registry Number: 542-69-8
Synonyms: 1-Iodobutane, Butyl iodide, Butane, 1-iodo-, N-BUTYL IODIDE, Butane, iodo-, IODOBUTANE, 1-Jodbutan [Czech], sJPHAVIJuP@, nchem.167-comp22, WLN: I4, 167304_ALDRICH, NSC 8420, 20030_FLUKA, EINECS 208-824-4, NSC8420, AI3-52403, LS-45922, InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H, 25267-27-0

Molecular Formula: C4H9IMolecular Weight: 184.018730 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KMGBZBJJOKUPIA-UHFFFAOYSA-N

• Butylsulfonyl Chloride
IUPAC Name: butane-1-sulfonyl chloride | CAS Registry Number: 2386-60-9
Synonyms: 1-Butanesulfonyl chloride, Butylsulfonyl chloride, Butanesulfonyl chloride, 1-Butylsulfonyl chloride, n-Butanesulphonyl chloride, Butane-1-sulfonyl chloride, n-Butanesulfonyl chloride, Butane-1-sulphonyl chloride, 263605_ALDRICH, NSC 8027, EINECS 219-204-8, NSC8027, BRN 1748742, LS-45991, LS-45992, EK5940000, 4-04-00-00045 (Beilstein Handbook Reference)

Molecular Formula: C4H9ClO2SMolecular Weight: 156.631060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WEDIIKBPDQQQJU-UHFFFAOYSA-N

• Camphor Sulphonic Acid
IUPAC Name: [(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid | CAS Registry Number: 35963-20-3
Synonyms: R-(10)-Camphorsulfonic Acid, EINECS 252-817-9, TL806102, (1R)-(7,7-Dimethyl-2-oxobicyclo(2.2.1)hept-1-yl)methanesulphonic acid

Molecular Formula: C10H16O4SMolecular Weight: 232.296640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIOPJNTWMNEORI-MHPPCMCBSA-N

• Capryl Alcohol
IUPAC Name: octan-1-ol | CAS Registry Number: 111-87-5
Synonyms: 1-octanol, octanol, Octyl alcohol, N-octanol, caprylic alcohol, Octan-1-ol, Heptyl carbinol, Capryl alcohol, n-Octyl alcohol, Octilin, Alcohol C-8, 1-Hydroxyoctane, n-Octan-1-ol, n-Caprylic alcohol, Primary octyl alcohol, octyl-alcohol, Alfol 8, C8 alcohol, Sipol L8, n Octanol

Molecular Formula: C8H18OMolecular Weight: 130.227920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N

• Carbitol (Diethylene Glycol Mono Ethyl Ether)
IUPAC Name: 2-(2-ethoxyethoxy)ethanol | CAS Registry Number: 111-90-0
Synonyms: Solvolsol, Transcutol, Dioxitol, Ethoxy diglycol, Ethyl carbitol, Ethyl digol, CARBITOL, Carbitol solvent, Ethoxydiglycol, Losungsmittel apv, Dowanol DE, Transcutol P, Carbitol cellosolve, Ektasolve DE, Ethyldiglycol, Poly-Solv DE, Dowanol, Karbitol [Czech], 2-(2-Ethoxyethoxy)ethanol, Poly-Solv

Molecular Formula: C6H14O3Molecular Weight: 134.173560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XXJWXESWEXIICW-UHFFFAOYSA-N

• Carbitol Acetate
IUPAC Name: 2-(2-ethoxyethoxy)ethyl acetate | CAS Registry Number: 112-15-2
Synonyms: Carbitol acetate, Ethoxydiglycol acetate, DE Acetate, Ektasolve de acetate, Ethyldiglycol acetate, Karbitolacetat [Czech], Glycol ether de acetate, Diglycol monoethyl ether acetate, Ethanol, 2-(2-ethoxyethoxy)-, acetate, 2-(2-ETHOXYETHOXY)ETHYL ACETATE, HSDB 5555, WLN: 2O2O2OV1, Diethylene glycol ethyl ether acetate, 537527_ALDRICH, Diethylene glycol monoethyl ether acetate, 2-(2-Ethoxyethoxy)ethanol acetate, NSC 8702, 32240_FLUKA, EINECS 203-940-1, NSC8702

Molecular Formula: C8H16O4Molecular Weight: 176.210240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FPZWZCWUIYYYBU-UHFFFAOYSA-N

• Carboxy-PTIO
IUPAC Name: potassium 4-(1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium-2-yl)benzoate | CAS Registry Number: 148819-94-7
Synonyms: carboxy-ptio, OR8125T, 2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide

Molecular Formula: C14H17KN2O4Molecular Weight: 316.394080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UUIUWWWXQKGGKY-UHFFFAOYSA-M

• Carmustine
IUPAC Name: 1,3-bis(2-chloroethyl)-1-nitrosourea | CAS Registry Number: 154-93-8
Synonyms: carmustine, Carmustin, Nitrumon, BCNU, Carmubris, Gliadel, Becenum, BiCNU, Bischlorethylnitrosurea, Bi CNU, Bischlorethylnitrosourea, FIVB, Prestwick_997, Bischloroethylnitrosourea, carmustine in ethanol, BiCNU (TN), Bischloroethyl nitrosourea, 1,3-Bis(2-chloroethyl)-1-nitrosourea, Carmustinum [INN-Latin], Spectrum_000265

Molecular Formula: C5H9Cl2N3O2Molecular Weight: 214.049860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DLGOEMSEDOSKAD-UHFFFAOYSA-N

• Caryophyllene
IUPAC Name: (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene | CAS Registry Number: 87-44-5
Synonyms: BETA-CARYOPHYLLENE, Isocaryophyllene, L-Caryophyllene, beta-Caryophyllen, trans-Caryophyllene, Caryophyllene (VAN), .beta.-(E)-Caryophyllene, (-)-trans-Caryophyllene, beta-Caryophyllene (natural), C9653_SIGMA, W225207_ALDRICH, FEMA No. 2252, 22075_FLUKA, (−)-trans-Caryophyllene, EINECS 201-746-1, LMPR01030030, NSC 11906, SBB012403, NCGC00142620-01, CARYOPHYLLENE ,ALPHA + BETA MIXT.

Molecular Formula: C15H24Molecular Weight: 204.351060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NPNUFJAVOOONJE-GFUGXAQUSA-N

• Chelidonine
Synonyms: Stylophorin, Chelidonin, Helidonine, Khelidonin, CHELIDONINE, (+)-Chelidonine, Prestwick0_000587, Prestwick1_000587, Prestwick2_000587, Prestwick3_000587, Benzophenanthridine alkaloid, BSPBio_000434, SPBio_002653, BPBio1_000478, MEGxp0_001421, ACon1_000007, CHEBI:31389, AIDS002651, AIDS-002651, NSC646661 (FREE BASE)

Molecular Formula: C20H19NO5Molecular Weight: 353.368560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: GHKISGDRQRSCII-ZOCIIQOWSA-N

• Chloro Propyl Trimethoxy Silane
IUPAC Name: 3-chloropropyl(trimethoxy)silane | CAS Registry Number: 2530-87-2
Synonyms: (3-Chloropropyl)trimethoxysilane, Sila-Ace S 620, CPS-M, Silane, (3-chloropropyl)trimethoxy-, 3-Chloropropyltrimethyoxysilane, 3-Chloropropyltrimethoxysilane, NCIOpen2_001219, Trimethoxy(3-chloropropyl)silane, Dow Corning product Z-6076, KBM 703, 3-(Trimethoxysilyl)propyl chloride, 440183_ALDRICH, (gamma-Chloropropyl)trimethoxysilane, Silane (3-chloropropyl)tris(methoxy)-, EINECS 219-787-9, gamma-Chloropropyltrimethoxysilane, NSC 83878, (3-chloropropyl)(trimethoxy)silane, .delta.-Chloropropyltrimethoxysilane, .gamma.-Chloropropyltrimethoxysilane

Molecular Formula: C6H15ClO3SiMolecular Weight: 198.720000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OXYZDRAJMHGSMW-UHFFFAOYSA-N

• Cis-trans-Abscisic acid
IUPAC Name: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 14375-45-2
Synonyms: Abscisinsaeure, Abszisinsaeure, acido abscisico, Dormin, ABSCISIC ACID, acide abscissique, ()-Abscisic acid, Spectrum5_000342, BSPBio_002916, 2-cis,4-trans-Abscisic acid, A1049_SIGMA, SPECTRUM1502234, 862169_ALDRICH, CHEBI:22152, SBB003072, SDCCGMLS-0066860.P001, NCGC00091094-01, NCGC00091094-02, NCGC00091094-03, NCGC00091094-04

Molecular Formula: C15H20O4Molecular Weight: 264.316900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JLIDBLDQVAYHNE-LXGGSRJLSA-N

• Citrus Aurantium Extract
IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]phenol | CAS Registry Number: 94-07-5
Synonyms: Synephrine, Oxedrine, p-Synephrine, Sympatol, Sympaethamine, Parasympatol, Analeptin, Sympathol, Synephrin, Synthenate, Simpalon, Simpatol, p-Oxedrine, Sympaethamin, Ethaphene, l-Synephrine, l-Sympatol, Synefrin [Czech], (+)-Synephrine, (-)-Synephrine

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YRCWQPVGYLYSOX-UHFFFAOYSA-N

• Cyclocytidine hydrochloride
Synonyms: Cyclocytidine, OCTD hydrochloride, Ancitabin hydrochlorid, Cyclo-cmp hydrochloride, Ancitabin hydrochloride, ANCITABINE HYDROCHLORIDE, C9H11N3O4.HCl, MLS001032024, MLS001173324, 2,2'-Cyclocytidine hydrochloride, Ancitabine hydrochloride (JAN), 2,2'-Anhydrocytidine hydrochloride, 2,2'-O-Cyclocytidine hydrochloride, EINECS 233-515-6, 2,2'-Anhydrocytarabine hydrochloride, 2,2'-Anhydroaracytidine hydrochloride, 2,2'-Cyclocytidine, monohydrochloride, NSC 145668, NSC-145668, O-2,2'-Cyclocytidine monohydrochloride

Molecular Formula: C9H12ClN3O4Molecular Weight: 261.662280 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: KZOWNALBTMILAP-JBMRGDGGSA-N

• D-(+)-Camphor Sulphonic Acid
IUPAC Name: [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid | CAS Registry Number: 3144-16-9
Synonyms: d-Camphorsulfonic acid, 282146_ALDRICH, (1R)-Camphor-10-sulfonic acid, (−)-Camphor-10-sulfonic acid, (1R)-(−)-10-Camphorsulfonic acid, (1R)-(−)-Camphor-10-sulfonic acid

Molecular Formula: C10H16O4SMolecular Weight: 232.296640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIOPJNTWMNEORI-XVKPBYJWSA-N


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