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ASDI Inc.

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Web: http://www.frontierssi.com/
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Profile: ASDI Inc. is a contract research organization offering chemistry, sample preparation, and materials management services, as well as pharmaceutical, analytical & purification services. Our wide range of services and problem solving capabilities enable pharmaceutical, biotechnical & academic sectors to accelerate their drug discovery & research processes. We enable discovery for the global research community through innovation and increased efficiencies. We provide materials management services for the pharmaceutical and biotechnology industries around the world. We offer various chemical products including 2-propylpyrrolidine, n,n-dimethyl-4-(pyrrolidin-2-yl)aniline, 2-pyrrolidin-2-yl-pyridine, 2-thiophen-2-yl-pyrrolidine, 2-phenylpyrrolidine, 4-pyrrolidin-2-yl-pyridine, 3-pyrrolidin-2-yl-pyridine, 2-tert-butylpyrrolidine, 2-benzylpyrrolidine, 2-(4-methoxyphenyl)pyrrolidine, 2-(4-chlorophenyl)pyrrolidine, 2-(3-chlorophenyl)pyrrolidine and 2-(2-bromophenyl)pyrrolidine. We offer a variety of products to support early drug discovery, including high-throughput screening (HTS) libraries, fragment libraries, reagents/building blocks, and reactive intermediates. All libraries may be weighed, solubilized, and plated in accordance with client screening requirements. Our custom synthesizing capabilities are designed to provide synthetic support to laboratories and allow focusing on research. We are equipped with a variety of purification options including crystallization, distillation, and column chromatography. While column chromatography is often avoided for large-scale work, we are equipped to purify even kilograms of material using this technique.

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• 3,5-Dichlorophenylboronic Acid
IUPAC Name: (3,5-dichlorophenyl)boronic acid | CAS Registry Number: 67492-50-6
Synonyms: 3,5-Dichlorophenylboronic acid, 445207_ALDRICH, BM263, TL806292, ST5405678

Molecular Formula: C6H5BCl2O2Molecular Weight: 190.819700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DKYRKAIKWFHQHM-UHFFFAOYSA-N

• 3-Fluorophenylboronic Acid
IUPAC Name: (3-fluorophenyl)boronic acid | CAS Registry Number: 768-35-4
Synonyms: 3-Fluorophenylboronic acid, 3-Fluorobenzeneboronic acid, (3-fluorophenyl)boronic acid, 441643_ALDRICH, BM377, ALBB-006113, AC 34564, TL8005271

Molecular Formula: C6H6BFO2Molecular Weight: 139.920043 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KNXQDJCZSVHEIW-UHFFFAOYSA-N

• 4-Tert-Butylphenylboronic Acid
IUPAC Name: (4-tert-butylphenyl)boronic acid | CAS Registry Number: 123324-71-0
Synonyms: 4-tert-Butylphenylboronic acid, 480053_ALDRICH, BM260, ST5405957, TL8000625

Molecular Formula: C10H15BO2Molecular Weight: 178.035900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MNJYZNVROSZZQC-UHFFFAOYSA-N

• (S)-(+)-1-Dimethylamino-2-Propanol
IUPAC Name: (2S)-1-(dimethylamino)propan-2-ol | CAS Registry Number: 53636-17-2
Synonyms: (S)-(+)-1-Dimethylamino-2-propanol, NCGC00166221-01, (2S)-1-(dimethylamino)propan-2-ol, AC1OCT7N, DSSTox_CID_26562, DSSTox_RID_81721, DSSTox_GSID_46562, 462039_ALDRICH, AC1Q29O9, CTK4J8509, MolPort-003-933-716, (S)-1-(dimethylamino)propan-2-ol, Tox21_112356, AKOS006237658, 2-Propanol,1-(dimethylamino)-, (2S)-, AK-45095, KB-03492, CAS-53636-17-2, FT-0083421, FT-0640183

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NCXUNZWLEYGQAH-YFKPBYRVSA-N

• (S)-1-(4-Methylphenyl)ethylamine
IUPAC Name: (1S)-1-(4-methylphenyl)ethanamine | CAS Registry Number: 27298-98-2
Synonyms: (S)-(-)-1-(p-Tolyl)ethylamine, (S)-(-)-alpha,4-Dimethylbenzylamine, (R)-(+)-1-(p-Tolyl)ethylamine, (S)-(-)-4-(1-Aminoethyl)toluene, PubChem8023, SureCN334558, AC1Q29HX, (S)-1-(p-tolyl)ethylamine, (S)-1-(p-Tolyl)ethanamine, 405256_ALDRICH, CTK8B1354, MolPort-001-761-178, ACT10694, (1S)-1-(4-methylphenyl)ethanamine, ANW-26167, AKOS015969094, (1S)-1-(4-Methylphenyl)Ethan-1-Amine, (S)-(+)-1-(4-Methylphenyl)ethylamine, AK-49642, KB-03580

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UZDDXUMOXKDXNE-QMMMGPOBSA-N

• 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 1,3,5-trimethylpyrazole-4-carbaldehyde | CAS Registry Number: 2644-93-1
Synonyms: ZINC00158804, ALBB-000091, CID736515, SBB000012, 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HMTUBXVXHHITGO-UHFFFAOYSA-N

• 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride
IUPAC Name: 1,3,5-trimethylpyrazole-4-sulfonyl chloride | CAS Registry Number: 59340-27-1
Synonyms: 1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride, 1,3,5-trimethyl-1h-pyrazole-4-sulphonyl chloride, F2169-0654, 1,3,5-trimethylpyrazole-4-sulfonyl Chloride, AC1MC75P, AC1Q406S, CTK5A9825, MolPort-000-142-517, ALBB-000162, BBL013034, SBB022663, STK288947, trimethylpyrazole-4-sulfonyl chloride, AKOS000118252, AG-A-10283, AG-G-11461, MCULE-8647271200, RP04699, AK126536, AM804104

Molecular Formula: C6H9ClN2O2SMolecular Weight: 208.665860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QLSAMUCENQZGHN-UHFFFAOYSA-N

• 1-(2-Furoyl)piperazine
IUPAC Name: furan-2-yl(piperazin-1-yl)methanone | CAS Registry Number: 40172-95-0
Synonyms: 2-Furoic piperazide, ChemDiv2_000230, 1-(2-Furoyl)-piperazine, Oprea1_198664, 558966_ALDRICH, furan-2-yl-piperazin-1-ylmethanone, EINECS 254-823-7, CID550206, Piperazine, 1-(2-furanylcarbonyl)-, SBB003747, SDCCGMLS-0065725.P001, LS-192020, EU-0033740

Molecular Formula: C9H12N2O2Molecular Weight: 180.203780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SADPINFEWFPMEA-UHFFFAOYSA-N

• 2,2-Diphenyl-L-Prolinol
IUPAC Name: di(phenyl)-[(2S)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 112068-01-6
Synonyms: ZINC03632772

Molecular Formula: C17H20NO+Molecular Weight: 254.346800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGCGXUGBDJGFFY-INIZCTEOSA-O

• (2,4-Dimethyl-1,3-thiazol-5-yl)methanol
IUPAC Name: (2,4-dimethyl-1,3-thiazol-5-yl)methanol | CAS Registry Number: 50382-32-6
Synonyms: (2,4-dimethylthiazol-5-yl)methanol, (2,4-dimethyl-1,3-thiazol-5-yl)methanol, SBB054806, AG-F-69418, (2,4-Dimethyl-thiazol-5-yl)-methanol, (2,4-dimethyl-1,3-thiazol-5-yl)methan-1-ol, ZINC00158617, AC1MCQTV, PubChem15759, SureCN95057, AC1Q2OV8, CTK4J2547, MolPort-000-142-304, 5-Thiazolemethanol,2,4-dimethyl-, (2,4-dimethyl-5-thiazolyl)methanol, ANW-47179, STL214574, (dimethyl-1,3-thiazol-5-yl)methanol, AKOS005143006, MCULE-3363773760

Molecular Formula: C6H9NOSMolecular Weight: 143.206760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BRQKYVQSAUQHNC-UHFFFAOYSA-N

• 4-Phenoxyphenylboronic acid
IUPAC Name: [4-(phenoxy)phenyl]boronic acid | CAS Registry Number: 51067-38-0
Synonyms: 480142_ALDRICH, [4-(phenoxy)phenyl]boronic acid, ALBB-006103, SBB003409, TE3078, TL800742126

Molecular Formula: C12H11BO3Molecular Weight: 214.024940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KFXUHRXGLWUOJT-UHFFFAOYSA-N

• 1,4-dihydro-2-(methylthio)-4-oxo-5-pyrimidine-carboxylate acid ethyl ester
IUPAC Name: ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate | CAS Registry Number: 53554-29-3
Synonyms: NCIOpen2_007256, NSC43816, ZINC00179971, ZINC01686087, ST5403456, EU-0009282

Molecular Formula: C8H10N2O3SMolecular Weight: 214.241600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HDIWKNXVBQPJCO-UHFFFAOYSA-N

• (R)-1,2,3,4-Tetrahydroisoquinolin-3-yl-methanol
IUPAC Name: [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol | CAS Registry Number: 62855-02-1
Synonyms: (3r)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol, (R)-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol, AC1LF5RT, SureCN4738129, Oprea1_551380, KSC288Q9P, CHEMBL61490, AC1Q77R7, CTK1I8897, CHEBI:194437, MolPort-001-770-607, KST-1A2333, ACT01977, AR-1A4279, OR8104, ZINC19802513, AKOS015856165, AG-G-31619, AK-35913, BR-35913

Molecular Formula: C10H13NOMolecular Weight: 163.216320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZSKDXMLMMQFHGW-SNVBAGLBSA-N

• 3,4-Dimethylbenzyl alcohol
IUPAC Name: (3,4-dimethylphenyl)methanol | CAS Registry Number: 6966-10-5
Synonyms: 3,4-DIMETHYLBENZYL ALCOHOL, Benzenemethanol, 3,4-dimethyl-, 188794_ALDRICH, NSC18728, EINECS 230-175-0, ZINC01561828, TL 00645, AI3-21300, InChI=1/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OKGZCXPDJKKZAP-UHFFFAOYSA-N

• (S)-(-)-5-Hydroxymethyl-2(5H)-furanone
IUPAC Name: (2S)-2-(hydroxymethyl)-2H-furan-5-one | CAS Registry Number: 78508-96-0
Synonyms: 346861_ALDRICH, 55675_FLUKA, ZINC02558002, CID10176122, (S)-(−)-5-Hydroxymethyl-2(5H)-furanone, InChI=1/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H

Molecular Formula: C5H6O3Molecular Weight: 114.099340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AWNLUIGMHSSXHB-BYPYZUCNSA-N

• 1,10-decanediamine
IUPAC Name: decane-1,10-diamine | CAS Registry Number: 646-25-3
Synonyms: 1,10-Diaminodecane, Decyldiamine, 1,10-Decanediamine, Decamethylenediamine, 1,10-Decamethylenediamine, Lopac-D14204, Lopac0_000458, D14204_ALDRICH, WLN: Z10Z, 32880_FLUKA, EINECS 211-471-9, NSC 10400, NSC10400, BRN 1738591, PDSP1_000331, PDSP2_000329, NCGC00015388-01, NCGC00093873-01, NCGC00093873-02, LS-59288

Molecular Formula: C10H24N2Molecular Weight: 172.310960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YQLZOAVZWJBZSY-UHFFFAOYSA-N

• 5-Hydrazino-2-Methylpyridine
IUPAC Name: (6-methylpyridin-3-yl)hydrazine | CAS Registry Number: 197516-48-6
Synonyms: 5-hydrazino-2-methylpyridine, 5-HYDRAZINYL-2-METHYLPYRIDINE, 5-Hydrazino-2-methyl-pyridine, Pyridine, 5-hydrazino-2-methyl-, 1-(6-methylpyridin-3-yl)hydrazine, (6-Methyl-pyridine-3-yl)-hydrazine, AG-E-44201, PubChem19456, SureCN368556, AC1Q2P34, AC1Q2P35, PYR127, CTK4E2216, Pyridine,5-hydrazinyl-2-methyl-, MolPort-003-986-570, (6-methylpyridine-3-yl)-hydrazine, ANW-63711, ZINC21298527, AKOS006350876, PB15841

Molecular Formula: C6H9N3Molecular Weight: 123.155760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XWKGPVBYRBTGRC-UHFFFAOYSA-N

• 1-(2-Fluorophenyl)-2-Propylamine
IUPAC Name: 1-(2-fluorophenyl)propan-2-amine | CAS Registry Number: 1716-60-5
Synonyms: o-Fluoro-alpha-methylphenethylamine, AKE-BBV-051936, BRN 2082933, Phenethylamine, o-fluoro-alpha-methyl-, CID121531, BBV-051936, LS-103525

Molecular Formula: C9H12FNMolecular Weight: 153.196683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GDSXNLDTQFFIEU-UHFFFAOYSA-N

• [1,2,4]triazolo[1,5-A]pyrimidine-2-Carboxylic Acid
IUPAC Name: [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid | CAS Registry Number: 202065-25-6
Synonyms: ZERO/005020, ALBB-005412, STK298622, CID1263650, BAS 10157193, [1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, EU-0086819

Molecular Formula: C6H4N4O2Molecular Weight: 164.121560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SIJYLNWLBGNWSS-UHFFFAOYSA-N

• 4-Hydrazino-2,6-Dimethylpyrimidine
IUPAC Name: (2,6-dimethylpyrimidin-4-yl)hydrazine | CAS Registry Number: 14331-56-7
Synonyms: 4-hydrazino-2,6-dimethylpyrimidine, 4-Hydrazinyl-2,6-Dimethylpyrimidine, 2,6-Dimethyl-4-hydrazinopyrimidine, (2,6-dimethylpyrimidin-4-yl)hydrazine, AC-907/25014145, ZINC00157903, AC1Q2OVU, AC1Q2OVV, AC1Q4VLG, AC1LEI10, SureCN2722102, CTK4C3569, MolPort-000-141-985, AR-1G2562, SBB086021, 2,6-dimethylpyrimidine-4-ylhydrazine, AKOS000279932, AG-D-85692, MCULE-1238299485, Pyrimidine,4-hydrazinyl-2,6-dimethyl-

Molecular Formula: C6H10N4Molecular Weight: 138.170400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HVAYIAWJHRUOBC-UHFFFAOYSA-N

• (7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)(4-Bromophenyl)methanone
IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-bromophenyl)methanone | CAS Registry Number: 175136-40-0
Synonyms: (7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)(4-Bromophenyl)Methanone, ZINC01041996, AC1LOJKT, Maybridge1_002194, AC1Q24MH, Oprea1_131695, CTK4D5272, HMS547L16, MolPort-001-004-241, BTB12949, AKOS003592492, AG-E-24874, KB-146050, FT-0604843, I14-35326, 6-bromo-7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxine, (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-bromophenyl)methanone, Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-bromophenyl)-

Molecular Formula: C15H10Br2O3Molecular Weight: 398.046100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LDEWYYUQJRXQRI-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzoylacetonitrile
IUPAC Name: 3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile

Molecular Formula: C12H13NO4Molecular Weight: 235.235920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GFEMIDXDJDTTKQ-UHFFFAOYSA-N

• (-)-Citronellal
IUPAC Name: (3S)-3,7-dimethyloct-6-enal | CAS Registry Number: 5949-05-3
Synonyms: Rhodinal, (S)-(-)-Citronellal, nchembio882-comp8, CITRONELLAL, 3,7-Dimethyloct-6-enal, (3S)-(-)-Citronellal, (S)-3,7-Dimethyl-6-octenal, (S)-3,7-Dimethyloct-6-enal, CHEBI:368, (3S)-3,7-dimethyl-6-octenal, 373753_ALDRICH, 27468_FLUKA, (3S)-3,7-dimethyloct-6-enal, CPD-7986, CID443157, ZINC01532245, LMPR0102010011, C11384

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NEHNMFOYXAPHSD-JTQLQIEISA-N

• 2-Methylbenzyl Mercaptan
IUPAC Name: (2-methylphenyl)methanethiol | CAS Registry Number: 7341-24-4
Synonyms: NSC148323, CID288028, ZINC04282647, BBV-092363, 14092-00-3

Molecular Formula: C8H10SMolecular Weight: 138.230000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PJUDFYDAJBQPEA-UHFFFAOYSA-N

• 1,3-Diaminopentane
IUPAC Name: pentane-1,3-diamine | CAS Registry Number: 589-37-7
Synonyms: 1,3-Pentanediamine, Dytek(R) EP diamine, 381675_ALDRICH, AKE-BBR-007357, CID102444, BBR-007357

Molecular Formula: C5H14N2Molecular Weight: 102.178060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WTSXICLFTPPDTL-UHFFFAOYSA-N

• 3-Chloro-4-Methylbenzyl Alcohol
IUPAC Name: (3-chloro-4-methylphenyl)methanol | CAS Registry Number: 39652-32-9
Synonyms: 3-Chloro-4-methylbenzyl alcohol, Benzenemethanol, 3-chloro-4-methyl-, ZINC02566075, EINECS 254-566-0, CID123486, FR-1152

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NLRJZTGNCBMNKS-UHFFFAOYSA-N

• 3-Bromo benzophenone
IUPAC Name: (3-bromophenyl)-phenylmethanone | CAS Registry Number: 1016-77-9
Synonyms: 3-Bromobenzophenone, 519561_ALDRICH, AIDS017954, Methanone, (3-bromophenyl)phenyl-, AIDS-017954, CID70548, EINECS 213-808-5, ZINC02004510

Molecular Formula: C13H9BrOMolecular Weight: 261.113960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XNUMUNIJQMSNNN-UHFFFAOYSA-N

• 4-Biphenylboronic Acid
IUPAC Name: (4-phenylphenyl)boronic acid | CAS Registry Number: 5122-94-1
Synonyms: 4-Biphenylboronic acid, Phenylboronic Acid, 11, biphenyl-4-ylboronic acid, 483451_ALDRICH, BM292, 1,1'-Biphenyl-4-yl-boronic acid, (1,1'-Biphenyl)-4-ylboronic acid, Boronic acid, (1,1'-biphenyl)-4-yl-, boronic acid, [1,1'-biphenyl]-4-yl-, TL806285, ST5407392, InChI=1/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15

Molecular Formula: C12H11BO2Molecular Weight: 198.025540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XPEIJWZLPWNNOK-UHFFFAOYSA-N

• 4-N-butylphenylboronic Acid
IUPAC Name: (4-butylphenyl)boronic acid | CAS Registry Number: 145240-28-4
Synonyms: 4-Butylphenylboronic acid, 4-n-Butylphenylboronic acid, 4-Butylbenzeneboronic Acid, 4-Butylphenylboronicacid, (4-Butylphenyl)Boranediol, AG-D-89023, (4-butylphenyl)boronic Acid, PubChem18523, ACMC-209cue, AC1N2RDA, SureCN152142, AC1Q2VE3, AMTB386, 4-N-Butylphenylboronic acid,, KSC174K1F, 521493_ALDRICH, CHEMBL555064, Jsp002653, CTK0H4512, CHEBI:660042

Molecular Formula: C10H15BO2Molecular Weight: 178.035900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UGZUUTHZEATQAM-UHFFFAOYSA-N

• 4-Methybenzylamine
IUPAC Name: (4-methylphenyl)methanamine | CAS Registry Number: 104-84-7
Synonyms: p-Methylbenzylamine, 4-Methylbenzylamine, p-Xylylamine, Benzylamine, p-methyl-, Benzenemethanamine, 4-methyl-, M31201_ALDRICH, 1-(4-methylphenyl)methanamine, Benzylamine, p-methyl- (8CI), NSC66562, EINECS 203-243-2, NSC 66562, ST5213779, TL8006993, InChI=1/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H, 26177-45-7

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HMTSWYPNXFHGEP-UHFFFAOYSA-N

• 1-(2,4-Difluorophenyl)piperazine
IUPAC Name: 1-(2,4-difluorophenyl)piperazine | CAS Registry Number: 115761-79-0
Synonyms: 1-(2,4-Difluorophenyl)-piperazine, SBB016948

Molecular Formula: C10H12F2N2Molecular Weight: 198.212486 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CMCSPBOWEYUGHB-UHFFFAOYSA-N

• 4-(Methylsulfonyl)phenylboronic acid
IUPAC Name: (4-methylsulfonylphenyl)boronic acid | CAS Registry Number: 149104-88-1
Synonyms: 675903_ALDRICH, 4-Methanesulfonylphenylboronic acid, BM255, SBB016901, 4-(Methanesulfonyl)phenylboronic acid

Molecular Formula: C7H9BO4SMolecular Weight: 200.019960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VDUKDQTYMWUSAC-UHFFFAOYSA-N

• (S)-(-)-N-(alpha-Methylbenzyl)phthalamidic acid
IUPAC Name: 2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid | CAS Registry Number: 21752-36-3
Synonyms: 461466_ALDRICH, EINECS 244-571-6, (S)-(−)-N-(1-Phenylethyl)phthalamic acid, (S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid, (S)-(−)-N-(alpha-Methylbenzyl)phthalamic acid, (S)-(−)-N-(alpha-Methylbenzyl)phthalic acid monoamide

Molecular Formula: C16H15NO3Molecular Weight: 269.295200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VCFKXWGKKDZMPO-NSHDSACASA-N

• (S)-(-)-1-(2-Naphthyl)ethanol
IUPAC Name: (1S)-1-naphthalen-2-ylethanol | CAS Registry Number: 27544-18-9
Synonyms: (S)-(-)-alpha-Methyl-2-naphthalenemethanol, ST51037639, AC1OCVV9, SureCN483413, AC1Q29NK, 323144_ALDRICH, CHEMBL206369, (1S)-1-naphthalen-2-ylethanol, CHEBI:441953, (1S)-1-(2-naphthyl)ethan-1-ol, ANW-26229, ZINC01038915, AKOS015840851, (1S)-1-(Naphthalen-2-Yl)Ethan-1-Ol, (S)-(-)-2-(1-Hydroxyethyl)naphthalene, (S)-(-)-|A-Methyl-2-naphthalenemethanol, N0785

Molecular Formula: C12H12OMolecular Weight: 172.223080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AXRKCRWZRKETCK-VIFPVBQESA-N

• 1-Formylhomopiperazine
IUPAC Name: 1,4-diazepane-1-carbaldehyde | CAS Registry Number: 29053-62-1
Synonyms: 1,4-diazepane-1-carbaldehyde, ALBB-005771, ST5214605

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RNNVQNMOFQXXTH-UHFFFAOYSA-N

• 3',4'-Dichloro[1,1'-biphenyl]-4-carbaldehyde
IUPAC Name: 4-(3,4-dichlorophenyl)benzaldehyde | CAS Registry Number: 50670-78-5
Synonyms: ZINC02585746, 4PNL-Q04-0, 4-(3,4-Dichlorophenyl)benzaldehyde, CA-0707, CID2758153

Molecular Formula: C13H8Cl2OMolecular Weight: 251.108020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OMFFUMDRNYYSFR-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-2-naphthalenecarboxylic acid
IUPAC Name: 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid | CAS Registry Number: 53440-12-3
Synonyms: Tetralin-2-carboxylic acid, 178683_ALDRICH, 1,2,3,4-Tetrahydro-2-naphthoic acid, 87451_FLUKA, EINECS 258-553-0, NSC408608, 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NTAGXJQHJQUOOA-UHFFFAOYSA-N

• (1-Bromoethyl)benzene
IUPAC Name: 1-bromoethylbenzene | CAS Registry Number: 585-71-7
Synonyms: 1-Phenethyl bromide, 1-Phenylethyl bromide, Benzene, (1-bromoethyl)-, 1-Bromo-1-phenylethane, 1-Phenyl-1-bromoethane, alpha-Phenethyl bromide, alpha-Methylbenzyl bromide, 1-bromoethyl-benzene, alpha-Phenylethyl bromide, (1-BROMOETHYL)BENZENE, (alpha-Bromoethyl)benzene, .alpha.-Methylbenzyl bromide, .alpha.-Phenethyl bromide, .alpha.-Phenylethyl bromide, CCRIS 1779, (.alpha.-Bromoethyl)benzene, HSDB 2736, 238104_ALDRICH, NSC 8052, Benzene, (1-bromoethyl)-, (R)-

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CRRUGYDDEMGVDY-UHFFFAOYSA-N

• 1-(2-Aminoethyl)-2-imidazolidone
IUPAC Name: 1-(2-aminoethyl)imidazolidin-2-one | CAS Registry Number: 6281-42-1
Synonyms: 1-(2-Aminoethyl)imidazolidinone, NSC5776, 1-(2-Aminoethyl)-2-imidazolidinone, CID80480, NSC 5776, ZERO/009747, 2-Imidazolidinone, 1-(2-aminoethyl)-, EINECS 228-491-9, 1-(2-Aminoethyl)imidazolidin-2-one, 1-(beta-Aminoethyl)-2-imidazolidone, 1-(.beta.-Aminoethyl)-2-imidazolidone, AI3-24564

Molecular Formula: C5H11N3OMolecular Weight: 129.160340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PODSUMUEKRUDEI-UHFFFAOYSA-N

• 1-Benzy-4-hydroxymethyl Piperidine
IUPAC Name: [1-(phenylmethyl)piperidin-4-yl]methanol | CAS Registry Number: 67686-01-5
Synonyms: Oprea1_527183, (1-benzyl-4-piperidinyl)methanol, 1-Benzyl-4-Piperidine-methanol, 1-Benzyl-4-hydroxymethylpiperidine, SDCCGMLS-0066148.P001, CID736802, EC-000.1863, TL8004768, 6X-0704, AE-641/14044007

Molecular Formula: C13H19NOMolecular Weight: 205.296060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N

• 1-tert-Butoxycarbonylpiperidine-3-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid | CAS Registry Number: 71381-75-4
Synonyms: 1-Boc-piperidine-3-carboxylic acid, 84358-12-3, 1-Boc-3-piperidinecarboxylic Acid, Boc-DL-Nip-OH, 1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid, n-boc-nipecotic acid, boc-nip, n-boc-3-piperidinecarboxylic acid, n-boc-piperidine-3-carboxylic acid, 1-n-boc-piperidine-3-carboxylic acid, (+/-)-N-Boc-Nipecotic Acid, 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid, 1-Boc-nipecotic Acid, Boc-DL-nipecotic acid, boc-3-carboxypiperidine, n-boc-dl-nipecotic acid, 1-(tert-Butoxycarbonyl)nipecotic Acid, 1-(Boc)-3-piperidine-carboxylic acid, Boc-piperidine-3-carboxylic acid, 1-N-Boc-Piperidine-3-carboxylicacid

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NXILIHONWRXHFA-UHFFFAOYSA-N

• (S)-(+)-2-(tertButoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
IUPAC Name: (3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | CAS Registry Number: 78879-20-6
Synonyms: Boc-Tic-OH, Maybridge1_008840, MLS000080285, 15504_FLUKA, BL081-1, SMR000038109, ST5306801, TL8006680, SR-01000644270-1, N-Boc-L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (S)-N-Boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-(+)-2-(Tertutoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

Molecular Formula: C15H19NO4Molecular Weight: 277.315660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HFPVZPNLMJDJFB-LBPRGKRZSA-N

• (R)-2-Tetrahydrofuroic acid
IUPAC Name: (2R)-oxolane-2-carboxylic acid | CAS Registry Number: 87392-05-0
Synonyms: (R)-(+)-2-Tetrahydrofuroic acid, (R)-(+)-Tetrahydro-2-furoic acid, (R)-(+)-Tetrahydrofuran-2-carboxylic Acid, (2R)-oxolane-2-carboxylic acid, D-Tetrahydro-furan-2-carboxylic acid, (r)-tetrahydro-2-furoic acid, 2-Furancarboxylic acid, tetrahydro-, (2R)-, (r)-tetrahydrofuran-2-carboxylic acid, AG-H-52598, (S)-2-Tetrahydrofuroic acid, r-thfc, TETRAHYDROFURAN-2-CARBOXYLIC ACID, PubChem5796, AC1MC1QW, SureCN353229, r-tetrahydro-2-furoic acid, AC1Q71DT, AC1Q71DU, (r)-2-tetrahydrofuroic acid, KSC448A3B

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UJJLJRQIPMGXEZ-SCSAIBSYSA-N

• 2-trifluoromethylbenzoylacetonitrile
IUPAC Name: 3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile | CAS Registry Number: 40018-10-8
Synonyms: 2-TRIFLUOROMETHYLBENZOYLACETONITRILE, 3-Oxo-3-[2-(Trifluoromethyl)Phenyl]Propanenitrile, 2-(Trifluoromethyl)benzoylacetonitrile, 3-oxo-3-(2-(trifluoromethyl)phenyl)propanenitrile, PubChem12078, SureCN740028, AC1Q4JB7, CTK4I2275, MolPort-001-778-054, PC9060, SBB094761, ZINC02579789, AKOS000185359, AG-F-41474, KB-85312, A6685, FT-0604223, 3-Oxo-3-(2-trifluoromethylphenyl)propionitrile, Benzenepropanenitrile, b-oxo-2-(trifluoromethyl)-

Molecular Formula: C10H6F3NOMolecular Weight: 213.155950 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ULZOOHHGJMAKCY-UHFFFAOYSA-N

• 2-Methylbenzylae
IUPAC Name: (2-methylphenyl)methanamine | CAS Registry Number: 89-93-0
Synonyms: 2-Methylbenzylamine, o-Methylbenzylamine, o-Xylylamine, Benzenemethanamine, 2-methyl-, alpha-Amino-2-xylene, BENZYLAMINE, o-METHYL-, WLN: Z1R B1, 1-(2-methylphenyl)methanamine, 127132_ALDRICH, EINECS 201-952-1, NSC 30466, NSC30466, BRN 1099406, LS-43387, VT-00597698, 4-12-00-02518 (Beilstein Handbook Reference), AP-770/40653937, InChI=1/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CJAAPVQEZPAQNI-UHFFFAOYSA-N

• 2-Methyl Benzyl Alcohol
IUPAC Name: (2-methylphenyl)methanol | CAS Registry Number: 89-95-2
Synonyms: o-Tolyl alcohol, 2-Methylbenzyl alcohol, o-tolyl-methanol, o-Methylbenzyl alcohol, o-TOLYLCARBINOL, Ambap240, Benzyl alcohol, o-methyl-, Benzenemethanol, 2-methyl-, NSC91, 2-METHYLBENZENEMETHANOL, 188476_ALDRICH, NSC 91, Benzyl alcohol, o-methyl- (8CI), Benzenemethanol, 2-methyl- (9CI), EINECS 201-954-2, c0249, ZINC00896724, AI3-21536, C07213

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XPNGNIFUDRPBFJ-UHFFFAOYSA-N

• (3-chloro-1-propenyl)benzene
IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene | CAS Registry Number: 21087-29-6
Synonyms: (3-chloroprop-1-en-1-yl)benzene, Benzene, (3-chloropropenyl)-, [(1E)-3-chloroprop-1-en-1-yl]benzene, Benzene, (3-chloro-1-propenyl)-, 3-Chloro-1-phenyl-1-propene, NSC-5599, [(E)-3-chloroprop-1-enyl]benzene, (E)-(3-Chloroprop-1-en-1-yl)benzene, 2687-12-9, ((1E)-3-chloroprop-1-enyl)benzene, (Chloromethyl)styrene, Benzene, ((1E)-3-chloro-1-propenyl)-, benzene, [(1E)-3-chloro-1-propenyl]-, InChI=1/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4, Benzene, (3-chloro-1-propen-1-yl)-, AC1LCYZE, trans-Cinnamyl chloride, (E)-Cinnamyl chloride, beta-Chloromethylstyrene, SureCN39674

Molecular Formula: C9H9ClMolecular Weight: 152.620760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IWTYTFSSTWXZFU-QPJJXVBHSA-N

• 2,4-Dimethoxybenzylamine hydrochloride
IUPAC Name: (2,4-dimethoxyphenyl)methylazanium | CAS Registry Number: 20781-21-9
Synonyms: ZINC00119693, CID5174535

Molecular Formula: C9H14NO2+Molecular Weight: 168.212960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QOWBXWFYRXSBAS-UHFFFAOYSA-O

• (3-Bromopropoxy)-tert-butyldimethylsilane
IUPAC Name: 3-bromopropoxy-tert-butyl-dimethylsilane | CAS Registry Number: 89031-84-5
Synonyms: 3-bromopropoxy-tert-butyl-dimethylsilane, AC1LCVLD, ACMC-209unq, (3-Bromopropoxy)(tert-butyl)dimethylsilane, AC1Q1LK4, 429066_ALDRICH, CTK3J0508, MolPort-001-794-602, ACT10005, ANW-44004, AKOS015841201, AG-H-60677, (3-Bromopropoxy)-t-buyl-1-dimethylsilane, AK-44980, KB-01457, AB1007270, 3-bromanylpropoxy-tert-butyl-dimethyl-silane, FT-0650181, X7195, Propane, 1-bromo-3-(t-butyldimethylsilyloxy)-

Molecular Formula: C9H21BrOSiMolecular Weight: 253.251940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QGMROEZDWJTIDW-UHFFFAOYSA-N

• 3-Cyclohexylpropyl Bromide
IUPAC Name: 3-bromopropylcyclohexane | CAS Registry Number: 34094-21-8
Synonyms: (3-Bromopropyl)cyclohexane, NSC73714, CID96426, EINECS 251-824-4

Molecular Formula: C9H17BrMolecular Weight: 205.135280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SAJKBMWWUCUTBI-UHFFFAOYSA-N


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