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• Acetone-DNPH
IUPAC Name: 2,4-dinitro-N-(propan-2-ylideneamino)aniline | CAS Registry Number: 1567-89-1
Synonyms: Cinnamaldehyde azine, Acetone-2,4-DNPH, BCR549_FLUKA, 442436_SUPELCO, Acetone, (2,4-dinitrophenyl)hydrazone, NSC6120, 2-Propanone, (2,4-dinitrophenyl)hydrazone, Acetone-2,4-dinitrophenylhydrazone, 429589_SIAL, CID74069, NSC 6120, RJC00976, NSC131450, ZINC03956991, NSC 131450, AI3-16236, 2-Propanone, 2-(2,4-dinitrophenyl)hydrazone, Acetone, (2,4-dinitrophenyl)hydrazone (8CI)

Molecular Formula: C9H10N4O4Molecular Weight: 238.200100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YGIXYAIGWMAGIB-UHFFFAOYSA-N

• Acetoxyacetone
IUPAC Name: 2-oxopropyl acetate | CAS Registry Number: 592-20-1
Synonyms: Acetol acetate, Acetonyl acetate, Acetoxypropanone, O-Acetylacetol, 2-Oxopropyl acetate, 1-Acetoxyacetone, Acetylmethyl acetate, Acetoxy-2-propanone, 1-Acetoxy-2-propanone, 2-Propanone, 1-(acetyloxy)-, 1-Hydroxy-2-propanone acetate, 2-Propanone, 1-hydroxy-, acetate, 00803_FLUKA, NSC2298, NSC7614, MolPort-003-925-023, CID11593, NSC 2298, NSC 7614, EINECS 209-746-3

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DBERHVIZRVGDFO-UHFFFAOYSA-N

• Acetyl Chloride-D3
IUPAC Name: 2,2,2-trideuterioacetyl chloride | CAS Registry Number: 19259-90-6
Synonyms: Ethanoyl chloride, Acetyl chloride-d3, (2H3)Acetyl chloride, 175668_ALDRICH, MolPort-003-927-148, EINECS 242-925-4, CID2723967

Molecular Formula: C2H3ClOMolecular Weight: 81.516105 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WETWJCDKMRHUPV-FIBGUPNXSA-N

• Acetylacetonato(1,5-Cyclooctadiene)rhodium(i)
IUPAC Name: 3-[4-(3-formylphenoxy)butoxy]benzaldehyde | CAS Registry Number: 12245-39-5
Synonyms: Benzaldehyde,3,3'-[1,4-butanediylbis(oxy)]bis-, 121799-26-6, ACMC-1C9YR, CTK4B2751, 1,4-BIS(3-FORMYLPHENOXY)BUTANE, 3-[4-(3-formylphenoxy)butoxy]benzaldehyde, 3-[4-(3-methanoylphenoxy)butoxy]benzaldehyde, A804894

Molecular Formula: C18H18O4Molecular Weight: 298.333120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DPWLMAHEZCLAJY-UHFFFAOYSA-N

• Acrolein-DNPH
IUPAC Name: 2,4-dinitro-N-[(E)-prop-2-enylideneamino]aniline | CAS Registry Number: 888-54-0
Synonyms: Acrolein 2,4-dinitrophenylhydrazone, NSC 20692, 2-Propenal, (2,4-dinitrophenyl)hydrazone, CID9568683, LT00068573, Acrolein, (2,4-dinitrophenyl)hydrazone (8CI), 2-Propenal, (2,4-dinitrophenyl)hydrazone (9CI)

Molecular Formula: C9H8N4O4Molecular Weight: 236.184220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JJPZHGIYUVFTGG-BJMVGYQFSA-N

• Aldehyde C16
IUPAC Name: ethyl 3-methyl-3-phenyloxirane-2-carboxylate | CAS Registry Number: 77-83-8
Synonyms: Fraeseol, Strawberry aldehyde, C-16 aldehyde, Aldehyde C-16, EMPG, Ethyl(methylphenyl)glycidate, ETHYL METHYLPHENYLGLYCIDATE, Ethyl-3-methyl-3-phenylglycidate, Ethyl 3-methyl-3-phenylglycidate, FEMA No. 2444, CCRIS 2624, HSDB 1150, W244406_ALDRICH, Ethyl 2,3-epoxy-3-phenylbutyrate, EINECS 201-061-8, cis-Ethyl 3-methyl-3-phenylglycidate, NSC 27905, NSC27905, WLN: T3OTJ B1 BR& CVO2, 3-Methyl-3-phenylglycidic acid ethyl ester

Molecular Formula: C12H14O3Molecular Weight: 206.237760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LQKRYVGRPXFFAV-UHFFFAOYSA-N

• Allyl Bromide
IUPAC Name: 3-bromoprop-1-ene | CAS Registry Number: 106-95-6
Synonyms: Bromallylene, 3-Bromopropene, ALLYL BROMIDE, 3-Bromopropylene, 3-Bromo-1-propene, Propene, 3-bromo-, 1-Propene, 3-bromo-, 2-Propenyl bromide, 1-Bromo-2-propene, 3-bromoprop-1-ene, HSDB 622, A29585_ALDRICH, WLN: E2U1, 337528_ALDRICH, CCRIS 9049, NSC 7596, 05860_FLUKA, EINECS 203-446-6, NSC7596, UN1099

Molecular Formula: C3H5BrMolecular Weight: 120.975800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N

• alpha-(Aminomethyl)-2,5-dimethoxybe
• Aluminum Acetylacetonate
IUPAC Name: aluminum; pentane-2,4-dione | CAS Registry Number: 13963-57-0
Synonyms: Aluminum acetylacetonate, Aluminum triacetylacetonate, Tris(acetylacetone)aluminum, Tris(acetylacetonyl)aluminum, Tris(acetylacetonato)aluminum, Aluminum(III) acetylacetonate, Aluminum tris(acetylacetonate), Tris(acetylacetonato) aluminium, Tris(2,4-pentanedione)aluminum, Aluminum complex of acetylacetone, NSC4650, Tris(2,4-pentanedionato)aluminum, NSC52330, Tris(acetylacetonato) aluminium(III), ALUMINUM, TRIS(2,4-PENTANEDIONATO)-, Aluminum, tris(2,4-pentanedionato-O,O')-, (OC-6-11)-, WLN: D6O-AL-O BDJ D1 F1 B-& BD6O-AL-O BDJ D1 F1 B-& BD6O-AL-O BDJ D1 F1

Molecular Formula: C15H24AlO6Molecular Weight: 327.328998 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JOPJKWPJAJTLCY-UHFFFAOYSA-N

• Aminopyrine
IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one

Molecular Formula: C19H25N3O7Molecular Weight: 407.417700 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: ZPBURGJOLTWBJU-MGMRMFRLSA-N

• Anthracene-9-Methanol
IUPAC Name: anthracen-9-ylmethanol | CAS Registry Number: 1468-95-7
Synonyms: 9-Anthracenemethanol, 9-Anthrylcarbinol, 9-Anthrylmethanol, 9-Methylolanthracene, 9-Hydroxymethylantracene, Anthracene-9-carbinol, 9-Hydroxymethylanthracene, 9-(Hydroxymethyl)anthracene, CCRIS 7297, 187240_ALDRICH, EINECS 215-998-5, NSC 241166, 9-ANTHRACENE METHYL CARBINOL, BRN 1873402, NSC241166, ZINC01763653, LS-20355, TL8001030, PB247694202, 4-06-00-04944 (Beilstein Handbook Reference)

Molecular Formula: C15H12OMolecular Weight: 208.255180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JCJNNHDZTLRSGN-UHFFFAOYSA-N

• b-Ketoglutaric Acid
IUPAC Name: 3-oxopentanedioic acid | CAS Registry Number: 542-05-2
Synonyms: 3-Oxoglutaric acid, Acetonedicarboxylic acid, Ambap5850, Pentanedioic acid, 3-oxo-, 1,3-Acetonedicarboxylic acid, 165115_ALDRICH, EINECS 208-797-9, K-2480

Molecular Formula: C5H6O5Molecular Weight: 146.098140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OXTNCQMOKLOUAM-UHFFFAOYSA-N

• Baicalin
IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | CAS Registry Number: 21967-41-9
Synonyms: Baicalein 7-O-glucuronide, Baicalein-7-D-glucuronide, 572667_ALDRICH, CHEBI:2981, STOCK1N-21299, TJN-151, AIDS001402, 7-D-Glucuronic acid-5,6-dihydroxyflavone, AIDS-001402, CID64982, LS-71490, C10025, 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid, beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, 100647-26-5, 27462-75-5, 31564-28-0

Molecular Formula: C21H18O11Molecular Weight: 446.361020 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

• Barium 2-Ethylhexanoate
IUPAC Name: barium(2+); 2-ethylhexanoate | CAS Registry Number: 2457-01-4
Synonyms: Barium 2-ethylhexanoate, Barium bis(2-ethylhexanoate), EINECS 219-535-8, CID102821, Hexanoic acid, 2-ethyl-, barium salt, Hexanoic acid, 2-ethyl-, barium salt (2:1)

Molecular Formula: C16H30BaO4Molecular Weight: 423.734000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VJFFDDQGMMQGTQ-UHFFFAOYSA-L

• Barium Bromide
IUPAC Name: barium(2+) dibromide | CAS Registry Number: 10553-31-8
Synonyms: Barium bromide, BaBr2, Barium bromide (BaBr2), 413607_ALDRICH, CID66350, EINECS 234-140-0, 7791-28-8

Molecular Formula: BaBr2Molecular Weight: 297.135000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NKQIMNKPSDEDMO-UHFFFAOYSA-L

• Barium Chromate
IUPAC Name: barium(2+); dioxido(dioxo)chromium | CAS Registry Number: 10294-40-3
Synonyms: Lemon chrome, Baryta Yellow, Lemon Yellow, Permanent Yellow, BARIUM CHROMATE, Ultramarine Yellow, Pigment Yellow 31, Barium chromate(VI), CI Pigment YLllow 31, Barium chromate (1:1), C.I. Pigment Yellow 31, CCRIS 7568, Barium chromium oxide (BaCrO4), HSDB 6190, Lwmon Yellow (inorganic pigment), 401056_ALDRICH, 573906_ALDRICH, Chromic acid, barium salt (1:1), EINECS 233-660-5, CI 77103

Molecular Formula: BaCrO4Molecular Weight: 253.320700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QFFVPLLCYGOFPU-UHFFFAOYSA-N

• Barium Cyclohexanebutyrate
IUPAC Name: barium(2+); 4-cyclohexylbutanoate | CAS Registry Number: 62669-65-2
Synonyms: Barium cyclohexanebutyrate (1:2), 4441-63-8 (Parent), MolPort-002-502-010, EINECS 263-685-7, CID112911, Cyclohexanebutanoic acid, barium salt, BARIUM CYCLOHEXANEBUTYRATE,STANDARD, Cyclohexanebutanoic acid, barium salt (2:1), 488737-05-9

Molecular Formula: C20H34BaO4Molecular Weight: 475.808560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NFAVTTVOXXCARJ-UHFFFAOYSA-L

• Barium Fluoride
IUPAC Name: barium(2+) difluoride | CAS Registry Number: 7787-32-8
Synonyms: BARIUM FLUORIDE, OPTICAL GRADE, LS-24687

Molecular Formula: BaF2Molecular Weight: 175.323806 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OYLGJCQECKOTOL-UHFFFAOYSA-L

• Barium Hydrogen Phosphate
IUPAC Name: barium(2+) diphosphate | CAS Registry Number: 10048-98-3
Synonyms: Barium phosphate, Barium phosphate, dibasic, Barium phosphate, monobasic, Barium hydrogenorthophosphate, BARIUM PHOSPHATE (PYRO), Barium bis(dihydrogenorthophosphate), EINECS 233-159-1, EINECS 236-715-1, Phosphoric acid, barium salt (1:1), Phosphoric acid, barium salt (2:1), LS-192338, 13466-20-1, 13466-21-2, 13517-08-3

Molecular Formula: Ba3O8P2Molecular Weight: 601.923722 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: WAKZZMMCDILMEF-UHFFFAOYSA-H

• Barium Iodide
IUPAC Name: barium(2+) diiodide | CAS Registry Number: 13718-50-8
Synonyms: Barium iodide, BaI2, Barium iodide (BaI2), 413615_ALDRICH, CID83684, EINECS 237-276-9

Molecular Formula: BaI2Molecular Weight: 391.135940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SGUXGJPBTNFBAD-UHFFFAOYSA-L

• Barium Oxide
IUPAC Name: oxobarium | CAS Registry Number: 1304-28-5
Synonyms: Baryta, Barium monoxide, Calcined baryta, Barium protoxide, BARIUM OXIDE, Barium oxide (BaO), Oxyde de baryum [French], BARIUM OXIDE, BaO, 223603_ALDRICH, 288497_ALDRICH, 554847_ALDRICH, EINECS 215-127-9, UN1884, Barium oxide [UN1884] [Poison], Barium oxide [UN1884] [Poison], Barium oxide, obtained by calcining witherite, LS-24694, 12231-51-5, BAO

Molecular Formula: BaOMolecular Weight: 153.326400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QVQLCTNNEUAWMS-UHFFFAOYSA-N

• Barium Perchlorate
IUPAC Name: barium(2+) diperchlorate | CAS Registry Number: 13465-95-7
Synonyms: Barium diperchlorate, BARIUM PERCHLORATE, Perchloric acid, barium salt, Barium perchlorate solution, 241733_ALDRICH, 35053_RIEDEL, 463663_ALDRICH, EINECS 236-710-4, UN1447, BARIUM PERCHLORATE, ANHYDROUS, Barium perchlorate [UN1447] [Oxidizer], Barium perchlorate [UN1447] [Oxidizer], LS-102369, 156021-15-7

Molecular Formula: BaCl2O8Molecular Weight: 336.228200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: OOULUYZFLXDWDQ-UHFFFAOYSA-L

• Barium Titanate
IUPAC Name: barium(2+); dioxido(oxo)titanium | CAS Registry Number: 12047-27-7
Synonyms: Barium titanate(IV), BARIUM TITANATE, 208108_ALDRICH, 256552_ALDRICH, 338842_ALDRICH, 342939_ALDRICH, 467634_ALDRICH

Molecular Formula: BaO3TiMolecular Weight: 233.192200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WNKMTAQXMLAYHX-UHFFFAOYSA-N

• Benfluralin
IUPAC Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline | CAS Registry Number: 1861-40-1
Synonyms: benfluralin, Benfluraline, Bethrodine, Banafine, Benephin, Carpidor, Flubalex, Benalan, Benefex, Binnell, Bonalan, Balfin, Blulan, Emblem, Quilan, Balan, BENEFIN, Caswell No. 130, Benefin [WITHDRAWN], Benfluralin [BSI:ISO]

Molecular Formula: C13H16F3N3O4Molecular Weight: 335.279050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: SMDHCQAYESWHAE-UHFFFAOYSA-N

• Benfuracarb
IUPAC Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate | CAS Registry Number: 82560-54-1
Synonyms: Aminofuracarb, Oncol, Furacon, Oncol 5G, Caswell No. 349C, Benfuracarb [BSI:ISO], 45759_RIEDEL, CHEBI:3014, MolPort-003-933-538, OK 174, EPA Pesticide Chemical Code 123201, CID54886, OC-11588, NCGC00166199-01, LS-16047, C11073, beta-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-, ethyl ester, 8-Oxa-3-thia-2,4-diazadecanoic acid, 2-methyl-4-(1-methylethyl)-7-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 88650-68-4, ethyl 3-[{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}(1-methylethyl)amino]propanoate

Molecular Formula: C20H30N2O5SMolecular Weight: 410.527600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: FYZBOYWSHKHDMT-UHFFFAOYSA-N

• Benomyl
IUPAC Name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate | CAS Registry Number: 17804-35-2
Synonyms: Benlate, BENOMYL, Fundazol, Agrocit, Arilate, Uzgen, Arbortrine, Fungochrom, Fundasol, Benomyl-Imex, Kribenomyl, Benex, Benlate 50, Chinoin-fundazol, Fibenzol, Kribenomy, Benomil, Benosan, Fungicide D-1991, Benlate 50 W

Molecular Formula: C14H18N4O3Molecular Weight: 290.317720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RIOXQFHNBCKOKP-UHFFFAOYSA-N

• Benserazide Hydrochloride
IUPAC Name: 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide hydrochloride | CAS Registry Number: 14919-77-8
Synonyms: BENSERAZIDE HYDROCHLORIDE, Benzerazide hydrochloride, Madopa (Hoffmann-LaRoche), CCRIS 5092, MLS000028424, MLS001148252, B7283_SIGMA, C10H15N3O5.HCl, SPECTRUM1500137, EINECS 238-991-9, Benserazide hydrochloride (JP15), CID26964, Ro 4-4602/001, NCGC00093698-01, NCGC00093698-02, NCGC00093698-03, NCGC00093698-04, NCGC00093698-05, SMR000058421, LS-145026

Molecular Formula: C10H16ClN3O5Molecular Weight: 293.704140 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 7

InChIKey: ULFCBIUXQQYDEI-UHFFFAOYSA-N

• Bensulfuron-methyl
IUPAC Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate | CAS Registry Number: 83055-99-6
Synonyms: Londax, Bensulfuron methyl, Methyl bensulfuron, BENSULFURON-METHYL, Bensulfuron methyl ester, Bensulfuron-methyl [ISO], PS1082_SUPELCO, 37897_RIEDEL, DPX-F 5384, AIDS179822, EPA Pesticide Chemical Code 128820, AIDS-179822, NCGC00164284-01, NCGC00164284-02, LS-37156, F 5384, C10937, Methyl alpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate, Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-, methyl ester, methyl 2-{[({[(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]methyl}benzoate

Molecular Formula: C16H18N4O7SMolecular Weight: 410.401720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: XMQFTWRPUQYINF-UHFFFAOYSA-N

• Benzaldehyde Propylene Glycol Acetal
IUPAC Name: 4-methyl-2-phenyl-1,3-dioxolane | CAS Registry Number: 2568-25-4
Synonyms: 4-Methyl-2-phenyl-1,3-dioxolane, Benzaldehyde propylene glycol acetal, W213004_ALDRICH, FEMA No. 2130, 4-Methyl-2-phenyl-m-dioxolane, STOCK1S-05566, 1,3-Dioxolane, 4-methyl-2-phenyl-, EINECS 219-906-4

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CDIKGISJRLTLRA-UHFFFAOYSA-N

• Benzene Chromium Tricarbonyl
IUPAC Name: benzene; carbon monoxide; chromium(6+) | CAS Registry Number: 12082-08-5
Synonyms: CHROMIUM BENZENE TRICARBONYL

Molecular Formula: C9H6CrO3+6Molecular Weight: 214.138240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OWQVYADSJVILAH-UHFFFAOYSA-N

• Benzene-D6
IUPAC Name: 1,2,3,4,5,6-hexadeuteriobenzene | CAS Registry Number: 1076-43-3
Synonyms: Benzene-d6, Perdeuterobenzene, Hexadeuterobenzene, (2H6)Benzene, ACODAZOLE, 151815_ALDRICH, 175870_ALDRICH, 175978_ALDRICH, 233358_ALDRICH, 236888_ALDRICH, 236977_ALDRICH, 308722_ALDRICH, 364940_ALDRICH, 434515_ALDRICH, 441325_ALDRICH, 442472_SUPELCO, 522104_ALDRICH, 549118_ALDRICH, 561509_ALDRICH, 570680_ALDRICH

Molecular Formula: C6H6Molecular Weight: 84.148811 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UHOVQNZJYSORNB-MZWXYZOWSA-N

• Benzenesulfonyl Chloride
IUPAC Name: benzenesulfonyl chloride | CAS Registry Number: 98-09-9
Synonyms: Benzene sulfochloride, Benzenosulfochloride, BENZENESULFONYL CHLORIDE, Benzolsulfochloride, BSC-refine D, Benezenesulfochloride, Benzenosulphochloride, Benzene sulfonechloride, Phenylsulfonyl chloride, Benzenosulfochlorek, Benzenesulfonic chloride, Benzenesulfon chloride, Benzenesulphonyl chloride, Benzenesulfonic(acid)chloride, RCRA waste no. U020, RCRA waste number U020, WLN: WSGR, Benzenosulfochlorek [Polish], Benzenesulfonic acid chloride, Benzenesulfonic (acid) chloride

Molecular Formula: C6H5ClO2SMolecular Weight: 176.620700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CSKNSYBAZOQPLR-UHFFFAOYSA-N

• Benzo(a)anthracene D12
IUPAC Name: 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene | CAS Registry Number: 1718-53-2
Synonyms: Tetraphene-d12, Benz[a]anthracene-d12, 1,2-Benzanthracene-d12, 442468_SUPELCO, 456306_ALDRICH, AKOS015903794, I14-18423

Molecular Formula: C18H12Molecular Weight: 240.361821 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DXBHBZVCASKNBY-AQZSQYOVSA-N

• BENZO[A]PYRENE (CAS: 92061-93-3)
• Beta-Amyloid (25-35)
IUPAC Name: 2-[[2-[[2-[[2-[[2-[2-[[2-[[6-amino-2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid | CAS Registry Number: 131602-53-4
Synonyms: A4559_SIGMA, MolPort-003-940-171, beta-AMYLOID, Fragment 25-35, Amyloid beta-Protein Fragment 25-35, CID3407255, CID 3407255

Molecular Formula: C45H81N13O14SMolecular Weight: 1060.268340 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 16

InChIKey: WIHBNMPFWRHGDF-UHFFFAOYSA-N

• Dimethyl Ketoxime
IUPAC Name: N-propan-2-ylidenehydroxylamine | CAS Registry Number: 127-06-0
Synonyms: Acetone oxime, Acetoxime, Acetonoxime, 2-Propanone, oxime, Acetone, oxime, 2-Propanone oxime, propan-2-one oxime, beta-Isonitrosopropane, ACETONE-OXIME, CCRIS 5, .beta.-Isonitrosopropane, A10507_ALDRICH, WLN: QNUY1 & 1, NSC 7601, CHEBI:15349, EINECS 204-820-1, NSC7601, BRN 1560146, ZINC00901210, AI3-52259

Molecular Formula: C3H7NOMolecular Weight: 73.093780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PXAJQJMDEXJWFB-UHFFFAOYSA-N

• Gamma Acid
IUPAC Name: 6-amino-4-hydroxynaphthalene-2-sulfonic acid | CAS Registry Number: 90-51-7
Synonyms: gamma-Acid, Y acid, C.I. Developer 3, .gamma.-Acid, Aminonaphthol sulfonic acid gamma, 08158_FLUKA, EINECS 202-000-8, 7-Amino-1-naphthol-3-sulfonic acid, NSC8630, NSC 31508, AIDS020198, AIDS-020198, NSC31508, 1-Naphthol-3-sulfonic acid, 7-amino-, BRN 1821283, 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-, Aminonaphthol sulfonic acid, .gamma.-, AI3-19502, 6-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACID, LS-94892

Molecular Formula: C10H9NO4SMolecular Weight: 239.247760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: HBZVNWNSRNTWPS-UHFFFAOYSA-N

• L-Acetidine-2-Carboxylic Acid
IUPAC Name: (2S)-azetidine-2-carboxylic acid | CAS Registry Number: 2133-34-8
Synonyms: Azetidinecarboxylic acid, Azetidyl-2-carboxylic acid, L-Azetidine-2-carboxylic acid, (S)-Azetidine-2-carboxylic acid, (S)-2-Azetidinecarboxylic acid, L-Azetidine 2-carboxylic acid, 2-Azetidinecarboxylic acid, L-, Lopac0_000023, HSDB 3465, A0760_SIGMA, Azetidine-2-carboxylic acid, L-, (2S)-azetidine-2-carboxylic acid, CHEBI:6198, 2-Azetidinecarboxylic acid, (S)-, 11542_FLUKA, EINECS 218-362-5, (S)-(-)-Azetidine-2-carboxylic acid, CID16486, (L)-AZETIDINE-2-CARBOXYLIC ACID, SBB004365

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IADUEWIQBXOCDZ-VKHMYHEASA-N

• L-Alanine, L-alanyl-
IUPAC Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid | CAS Registry Number: 1948-31-8
Synonyms: L-Alanyl-L-alanine, Ala-ala, N-L-Alanyl-L-alanine, CHEBI:72816, AG-E-42424, Alanyl-alanine, H-Ala-Ala-OH, L-Ala-L-Ala, AC1NUNIE, bmse000403, A9502_SIGMA, CHEMBL17697, Jsp004786, 05250_FLUKA, CTK0H9986, CHEBI:119871, EINECS 217-751-7, AKOS010420276, AKOS015840020, KB-53111

Molecular Formula: C6H12N2O3Molecular Weight: 160.171080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DEFJQIDDEAULHB-IMJSIDKUSA-N

• L-Alanyl-L-alanine
IUPAC Name: 2-(2-aminopropanoylamino)propanoic acid | CAS Registry Number: 2392-61-2
Synonyms: DL-Alanyl-DL-alanine, Alanylalanine, 2867-20-1, DL-Ala-DL-Ala, 2-(2-aminopropanamido)propanoic acid, N-DL-Alanyl-DL-alanine, L-Alanine, N-L-alanyl-, 2-(2-aminopropanoylamino)propanoic acid, DL-Alanine, N-DL-alanyl-, CHEMBL52461, ST092688, Dialanine, Di-L-Alanine, .alpha.-Alanylalanine, 1115-78-2, Alanine, N-L-alanyl-, L-, Alanine, alanyl-, ACMC-209mbp, AC1Q5KXP, H-DL-Ala-DL-Ala-OH

Molecular Formula: C6H12N2O3Molecular Weight: 160.171080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DEFJQIDDEAULHB-UHFFFAOYSA-N

• L-Arginine L-Glutamate
IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; (2S)-2-aminopentanedioic acid | CAS Registry Number: 4320-30-3
Synonyms: Modumate, Arginine glutamate, Modumate (TN), L-Arginine glutamate, Arginine glutamate (USAN), L-ARGININE-L-GLUTAMATE, L-Arginine L-Glutamate hydrate, L-arginine - L-glutamic acid (1:1), L-Arginine L-Glutamate hydrate (JAN), L-Glutamic acid, compd. with L-arginine, ST5409349, D02397, 4795-57-7

Molecular Formula: C11H23N5O6Molecular Weight: 321.330220 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 11

InChIKey: RVEWUBJVAHOGKA-WOYAITHZSA-N

• Lomefloxacin (3-Aminopyrazole)
IUPAC Name: 1H-pyrazol-5-amine | CAS Registry Number: 1820-80-0
Synonyms: 3-Aminopyrazole, 3-Pyrazolamine, 1H-Pyrazol-3-amine, Pyrazol-3-ylamine, 3-Amino-1H-pyrazole, 160644_ALDRICH, ALBB-004467, NSC76122, EINECS 217-338-1, NSC 76122, SBB004401, STK292780, ZINC04674340, FS000814, TL8001457, InChI=1/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6

Molecular Formula: C3H5N3Molecular Weight: 83.091900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JVVRJMXHNUAPHW-UHFFFAOYSA-N

• M-Aminobenzoic Acid
IUPAC Name: 3-aminobenzoic acid | CAS Registry Number: 99-05-8
Synonyms: m-Carboxyaniline, m-Aminobenzoic acid, 3-Carboxyaniline, gabaculine, Benzoic acid, 3-amino-, 3-AMINOBENZOIC ACID, Benzoic acid, m-amino-, MABA, m-Aminobenzoesaeure, 3-Aminobenzoesaeure, meta-aminobenzoic acid, Aniline-3-carboxylic acid, WLN: ZR CVQ, Oprea1_172994, C7H7NO2, MLS000069458, MLS001076476, 127671_ALDRICH, 06920_FLUKA, CHEBI:42682

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XFDUHJPVQKIXHO-UHFFFAOYSA-N

• m-Methyl acetanilide
IUPAC Name: N-(3-methylphenyl)acetamide | CAS Registry Number: 537-92-8
Synonyms: m-Acetotoluidide, m-Acetotolidide, m-Acetotoluide, m-Tolylacetamide, Acetotoluide, N-Acetyl-m-toluidine, 3-Acetamidotoluene, m-Methylacetanilide, N-m-Tolylacetamide, 3'-Methylacetanilide, 3-Methylacetanilide, Aceto-m-aminotoluene, N-Acetyl-n-toluidine, N-Acetoxy-3-toluidine, N-Acetyl-3-methylaniline, 1-Acetamido-3-methylbenzene, Acetamide, N-(3-methylphenyl)-, N-(3-METHYLPHENYL)ACETAMIDE, CCRIS 5955, WLN: 1VMR C1

Molecular Formula: C9H11NOMolecular Weight: 149.189740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ALMHSXDYCFOZQD-UHFFFAOYSA-N

• Meta Aminophenol
IUPAC Name: 3-aminophenol | CAS Registry Number: 591-27-5
Synonyms: 3-Aminophenol, m-Hydroxyaniline, M-AMINOPHENOL, 3-Hydroxyaniline, Phenol, 3-amino-, Fouramine EG, Futramine EG, Fourrine EG, Pelagol EG, Tertral EG, Furro EG, Renal EG, Ursol EG, Fourrine 65, Zoba EG, Phenol, m-amino-, Nako TEG, m-Hydroxyphenylamine, BASF ursol EG, m-Aminofenol

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CWLKGDAVCFYWJK-UHFFFAOYSA-N

• N-(4-Aminobenzoyl)-L-Glutamic Acid Diethyl Ester
IUPAC Name: diethyl 2-[(4-aminobenzoyl)amino]pentanedioate | CAS Registry Number: 13726-52-8
Synonyms: NCIOpen2_009056, NSC82885, CID256289, Diethyl N-(p-aminobenzoyl)-L-glutamate, LT03331595, DIETHYL N-(p-AMINO-BENZOYL)-L-GLUTAMATE, N-(p-Aminobenzoyl)-L-glutamic acid diethyl ester, L-Glutamic acid, N-(4-aminobenzoyl)-, diethyl ester

Molecular Formula: C16H22N2O5Molecular Weight: 322.356280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: RJXFBLRRPYBPTM-UHFFFAOYSA-N

• N-(4-Aminobenzoyl)-L-Glutaminic Acid
IUPAC Name: 2-[(4-aminobenzoyl)amino]pentanedioic acid | CAS Registry Number: 4271-30-1
Synonyms: p-Aminobenzoylglutamic acid, 4-Aminobenzoylglutamic acid, p-Aminobenzoyl-L-glutamic acid, NCIOpen2_003503, N-(p-Aminobenzoyl)glutamic acid, L-N-(p-Aminobenzoyl)glutamic acid, N-(4-Aminobenzoyl)-L-glutamic acid, N-4-Aminobenzoyl-L-glutamic acid, NSC71042, EINECS 224-261-7, NSC 71042, NSC267432, L-Glutamic acid, N-(4-aminobenzoyl)-, N-(p-Aminobenzoyl)glutamic acid (VAN), Glutamic acid, N-(p-aminobenzoyl)-, L-, TL8003030, L-Glutamic acid, N-(4-aminobenzoyl)- (9CI), Glutamic acid, N-(p-aminobenzoyl)-, L- (8CI), 4230-33-5

Molecular Formula: C12H14N2O5Molecular Weight: 266.249960 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: GADGMZDHLQLZRI-UHFFFAOYSA-N

• N-Acetyl-D-methionine
IUPAC Name: 2-acetamido-4-methylsulfanylbutanoic acid | CAS Registry Number: 1509-92-8
Synonyms: N-Acetylmethionine, Methionamine, Thiomedon, Acetylmethionin, Methionin, Acetylmethionine, Acetyl-L-methionine, N-Acetyl-L-methionine, N-Acetyl-DL-methionine, L-Methionine, N-acetyl-, Acetyl-DL-methionine, dl-Acetylmethionine, L-(N-Acetyl)methionine, DL-N-Acetylmethionine, Methionine, N-acetyl-, L-, DL-Methionine, N-acetyl-, METHIONINE, N-ACETYL-, Methionine, N-acetyl-, DL-, WLN: 1VMYVQ2S1, CCRIS 5537

Molecular Formula: C7H13NO3SMolecular Weight: 191.248020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XUYPXLNMDZIRQH-UHFFFAOYSA-N

• N-Acetyl-Dl-Methionine
IUPAC Name: (2S)-2-acetamido-4-methylsulfanylbutanoic acid | CAS Registry Number: 1115-47-5
Synonyms: N-Acetylmethionine, Maybridge1_002609, DL-ACETYLMETHU=IONINE, DivK1c_001361, SBB006737, CDS1_000321, SR-01000634087-1, AME

Molecular Formula: C7H13NO3SMolecular Weight: 191.248020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XUYPXLNMDZIRQH-LURJTMIESA-N

• N-Allylrhodanine
IUPAC Name: 3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one | CAS Registry Number: 1457-47-2
Synonyms: 3-Allylrhodanine, Rhodanine, 3-allyl-, Allyl-4-oxo-2-thioxothiazolidin, NSC43395, AIDS124668, AIDS-124668, EINECS 215-941-4, NSC 43395, ZINC01081247, 4-Thiazolidinone, 3-(2-propenyl)-2-thioxo-, 3-Allyl-2-thioxo-1,3-thiazolidin-4-one, ST5308160

Molecular Formula: C6H7NOS2Molecular Weight: 173.255880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GYGUTBCTEJBRAN-UHFFFAOYSA-N


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