Benzenoids
3-Fluorophenyl isothiocyanate, 97+%
CAS: 404-72-8 Molecular Formula: C7H4FNS Molecular Weight (g/mol): 153.17 MDL Number: MFCD00004804 InChI Key: HDBACITVPQEAGG-UHFFFAOYSA-N Synonym: 3-fluorophenyl isothiocyanate,benzene, 1-fluoro-3-isothiocyanato,m-fluorophenyl isothiocyanate,3-fluorophenylisothiocyanate,isothiocyanic acid 3-fluorophenyl ester,isothiocyanic acid, m-fluorophenyl ester,1-fluoro-3-isothiocyanato-benzene,3-fluorobenzenisothiocyanate,timtec-bb sbb006700,attercop-chm at114051 PubChem CID: 9834 IUPAC Name: 1-fluoro-3-isothiocyanatobenzene SMILES: FC1=CC=CC(=C1)N=C=S
4-Chloro-3-fluorobenzyl bromide, 97%
CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1
Ambrisentan, Thermo Scientific Chemicals
CAS: 177036-94-1 Molecular Formula: C22H22N2O4 Molecular Weight (g/mol): 378.43 InChI Key: OUJTZYPIHDYQMC-UHFFFAOYNA-N IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid SMILES: COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
Thermo Scientific Chemicals Efaproxiral sodium, 98%
CAS: 170787-99-2 Molecular Formula: C20H22NNaO4 Molecular Weight (g/mol): 363.38 InChI Key: SWDPIHPGORBMFR-UHFFFAOYSA-M Synonym: efaproxiral sodium,sodium 2-4-2-3,5-dimethylphenyl amino-2-oxoethyl phenoxy-2-methylpropanoate,rsr 13 sodium,unii-3l83qp52xi,rsr13 sodium,efaproxiral sodium usan,rsr-13 PubChem CID: 2725048 IUPAC Name: sodium;2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoate SMILES: CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+]
Thermo Scientific Chemicals Flutamide
CAS: 13311-84-7 Molecular Formula: C11H11F3N2O3 Molecular Weight (g/mol): 276.22 MDL Number: MFCD00072009 InChI Key: MKXKFYHWDHIYRV-UHFFFAOYSA-N IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide SMILES: CC(C)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O
2-Bromo-1,3-dichloro-5-(trifluoromethoxy)benzene, 97%
CAS: 118754-55-5 Molecular Formula: C7H2BrCl2F3O Molecular Weight (g/mol): 309.891 MDL Number: MFCD03412210 InChI Key: CAAJZKZQEJSRJO-UHFFFAOYSA-N Synonym: 2-bromo-1,3-dichloro-5-trifluoromethoxy benzene,2,6-dichloro-4-trifluoromethoxy bromobenzene,4-bromo-3,5-dichloro-1-trifluoromethoxy benzene,benzene,2-bromo-1,3-dichloro-5-trifluoromethoxy,acmc-1c5si PubChem CID: 18947696 IUPAC Name: 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene SMILES: C1=C(C=C(C(=C1Cl)Br)Cl)OC(F)(F)F
4-Aminosalicylic acid, 98+%
CAS: 65-49-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007789 InChI Key: WUBBRNOQWQTFEX-UHFFFAOYSA-N Synonym: 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil PubChem CID: 4649 ChEBI: CHEBI:27565 IUPAC Name: 4-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)O)C(=O)O
3-Chlorostyrene, 98%, stab. with 0.1% 4-tert-butylcatechol
CAS: 2039-85-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.594 MDL Number: MFCD00000598 InChI Key: BOVQCIDBZXNFEJ-UHFFFAOYSA-N Synonym: 3-chlorostyrene,1-chloro-3-vinylbenzene,m-chlorostyrene,benzene, 1-chloro-3-ethenyl,styrene, m-chloro,unii-11k8g759hc,1-chloro-3-vinyl-benzene,styrene, 3-chloro,meta-chlorostyrene,zlchem 318 PubChem CID: 14905 IUPAC Name: 1-chloro-3-ethenylbenzene SMILES: C=CC1=CC(=CC=C1)Cl
2-Chloroethyl phenyl sulfide, 98%
CAS: 5535-49-9 Molecular Formula: C8H9ClS Molecular Weight (g/mol): 172.67 MDL Number: MFCD00013691 InChI Key: QDXIHHOPZFCEAP-UHFFFAOYSA-N Synonym: 2-chloroethyl phenyl sulfide,2-chloroethyl phenyl sulfane,2-chloroethyl sulfanyl benzene,2-chloroethyl thio benzene,2-chloroethylphenylsulfide,benzene, 2-chloroethyl thio,2-phenylthio ethyl chloride,2-phenylthioethylchloride,acmc-1axe6 PubChem CID: 21702 IUPAC Name: 2-chloroethylsulfanylbenzene SMILES: ClCCSC1=CC=CC=C1
3-Formylbenzeneboronic acid
CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1
Methyl vanillate, 99%
CAS: 3943-74-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00008438 InChI Key: BVWTXUYLKBHMOX-UHFFFAOYSA-N Synonym: methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx PubChem CID: 19844 ChEBI: CHEBI:46477 IUPAC Name: methyl 4-hydroxy-3-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)OC)O
Methyl 2-hydroxy-3-nitrobenzoate, 98%
CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
(1R,2R)-N-(p-Toluenesulfonyl)-1,2-diphenylethanediamine, 98+%
CAS: 144222-34-4 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD02093428 InChI Key: UOPFIWYXBIHPIP-NHCUHLMSSA-O Synonym: 1r,2r---n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r---n-p-tosyl-1,2-diphenylethylenediamine,r,r-tsdpen,r,r-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r-n-p-tosyl-1,2-diphenylethylenediamine,n-1r,2r-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,r,r-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide,1r,2r---n-p-tosyl-1,2-diphenylethylene diamine,1r, 2r---n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,benzenesulfonamide, n-1r,2r-2-amino-1,2-diphenylethyl-4-methyl PubChem CID: 2734565 IUPAC Name: N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
2-Chloro-5-hydroxybenzoic acid, 99%, Thermo Scientific Chemicals
CAS: 56961-30-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD04038818 InChI Key: UTVCLUZQPSRKMY-UHFFFAOYSA-N Synonym: 2-chloro-5-hydroxybenzoicacid,benzoic acid, 2-chloro-5-hydroxy,3-carboxy-4-chlorophenol,2-chloro-5-hydroxybenzenecarboxylic acid,2-chloro-5-hydroxy-benzoic acid,2-chloro-5-hydroxy benzoic acid,2-chloro-5-hydroxybenzene carboxylic acid,pubchem16487,acmc-1au79,ksc269a4t PubChem CID: 458210 IUPAC Name: 2-chloro-5-hydroxybenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC(O)=C1
2-Fluoro-6-methoxybenzyl bromide, 98%
CAS: 500912-17-4 Molecular Formula: C8H8BrFO Molecular Weight (g/mol): 219.053 MDL Number: MFCD08688579 InChI Key: PVKFBCBTHHTDEX-UHFFFAOYSA-N Synonym: 2-fluoro-6-methoxybenzyl bromide,2-bromomethyl-1-fluoro-3-methoxybenzene,2-bromomethyl-3-fluoroanisole,2-fluoro-6-methoxy-benzyl bromide,2-bromomethyl-3-fluorophenyl methyl ether,benzene,2-bromomethyl-1-fluoro-3-methoxy,2-bromomethyl-1-fluoranyl-3-methoxy-benzene PubChem CID: 2779322 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-methoxybenzene SMILES: COC1=C(C(=CC=C1)F)CBr