Benzenoids
3-Amino-5-bromobenzotrifluoride, 97%
CAS: 54962-75-3 Molecular Formula: C7H5BrF3N Molecular Weight (g/mol): 240.02 InChI Key: HJTLKVYOWNTDPF-UHFFFAOYSA-N Synonym: 3-amino-5-bromobenzotrifluoride,3-bromo-5-trifluoromethyl aniline,3-bromo-5-trifluoromethyl-phenylamine,3-amino-5-bromo trifluoromethyl benzene,3-bromo-5-trifluoromethyl benzenamine,3-bromo-5-aminobenzotrifluoride,3-amino-5-bromotrifluorotoluene,benzenamine, 3-bromo-5-trifluoromethyl,3-bromo-5-trifluoromethyl phenylamine PubChem CID: 2735880 IUPAC Name: 3-bromo-5-(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1N)Br)C(F)(F)F
2-Amino-4,5-dimethoxybenzoic acid, 98%
CAS: 5653-40-7 Molecular Formula: C9H11NO4 Molecular Weight (g/mol): 197.19 MDL Number: MFCD00011671 InChI Key: HJVAVGOPTDJYOJ-UHFFFAOYSA-N Synonym: 4,5-dimethoxyanthranilic acid,6-aminoveratric acid,benzoic acid, 2-amino-4,5-dimethoxy,2-amino-4,5-dimethoxy benzoic acid,2-amino-4,5-dimethoxy-benzoic acid,6-aminoveratricacid,zlchem 238,pubchem3110,acmc-1b03r,ksc269i1n PubChem CID: 79736 IUPAC Name: 2-amino-4,5-dimethoxybenzoic acid SMILES: COC1=CC(N)=C(C=C1OC)C(O)=O
2-(Trifluoromethyl)phenyl isothiocyanate, 98%
CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00039644 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S
3,5-Di-tert-butyltoluene, 98+%, Thermo Scientific Chemicals
CAS: 15181-11-0 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00026300 InChI Key: WIXDSJRJFDWTNY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene PubChem CID: 84819 IUPAC Name: 1,3-ditert-butyl-5-methylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
3,4-Dimethoxybenzonitrile, 98+%
CAS: 2024-83-1 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00001802 InChI Key: OSEQIDSFSBWXRE-UHFFFAOYSA-N Synonym: veratronitrile,4-cyanoveratrole,3,4-dimethoxy-benzonitrile,4-cyano-1,2-dimethoxybenzene,1-cyano-3,4-dimethoxylbenzene,3,4-dimethoxybenzoic acid nitrile,3,4-dimethoxyphenyl cyanide,benzonitrile,4-dimethoxy,3,4-dimethoxybenzenecarbonitrile,3-cyanoveratrole PubChem CID: 74842 IUPAC Name: 3,4-dimethoxybenzonitrile SMILES: COC1=CC=C(C=C1OC)C#N
4-Methylphenoxyacetic acid, 98%
CAS: 940-64-7 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00014365 InChI Key: SFTDDFBJWUWKMN-UHFFFAOYSA-N Synonym: 4-methylphenoxy acetic acid,4-methylphenoxyacetic acid,2-4-methylphenoxy acetic acid,p-methylphenoxyacetic acid,unii-wwy23322ik,acetic acid, 4-methylphenoxy,2-p-tolyloxy acetic acid,p-toloxyacetic acid,acmc-20apmz,p-tolyloxy-acetic acid PubChem CID: 70329 IUPAC Name: 2-(4-methylphenoxy)acetic acid SMILES: CC1=CC=C(C=C1)OCC(=O)O
DL-alpha-Methoxyphenylacetic acid, 99%
CAS: 7021-09-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: DIWVBIXQCNRCFE-UHFFFAOYNA-N Synonym: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC Name: 2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O
2,3-Diaminophenol, 97%
CAS: 59649-56-8 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.14 MDL Number: MFCD00075199 InChI Key: PCAXITAPTVOLGL-UHFFFAOYSA-N Synonym: diaminophenol,phenol, 2,3-diamino,phenol, diamino,zlchem 936,2,3-diamino-phenol,pubchem2129,acmc-209mex,2,3-bis azanyl phenol,2,3-diaminophenol,3-hydroxy-o-phenylenediamine PubChem CID: 579937 IUPAC Name: 2,3-diaminophenol SMILES: C1=CC(=C(C(=C1)O)N)N
4-chloro-3-ethylphenol, 97%, Thermo Scientific™
CAS: 14143-32-9 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 InChI Key: DVKVZPIRWWREJC-UHFFFAOYSA-N Synonym: 4-chloro-3-ethyl-phenol,phenol, 4-chloro-3-ethyl,clmep,pubchem2213,4chloro-3-ethylphenol,3-ethyl-4-chlorophenol,acmc-1c2gm,diisopropylidenemannofuranose,ksc183m9d,4-chloro-3-ethylphenol PubChem CID: 84223 IUPAC Name: 4-chloro-3-ethylphenol SMILES: CCC1=C(C=CC(=C1)O)Cl
2-Chloroanisole, 98%
CAS: 766-51-8 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000557 InChI Key: QGRPVMLBTFGQDQ-UHFFFAOYSA-N Synonym: 2-chloroanisole,o-chloroanisole,benzene, 1-chloro-2-methoxy,anisole, o-chloro,o-chloromethoxybenzene,o-chlorophenyl methyl ether,2-chlorophenol methyl ether,chloroanisole,1-chloro-2-methoxy-benzene,labotest-bb ltbb002921 PubChem CID: 13011 IUPAC Name: 1-chloro-2-methoxybenzene SMILES: COC1=CC=CC=C1Cl
3,3'-Diaminobenzophenone, 90%
CAS: 611-79-0 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014774 InChI Key: TUQQUUXMCKXGDI-UHFFFAOYSA-N Synonym: 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline PubChem CID: 69145 IUPAC Name: bis(3-aminophenyl)methanone SMILES: NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1
Dimethyl trans-stilbene-4,4'-dicarboxylate, 98+%
CAS: 34541-73-6 Molecular Formula: C18H16O4 Molecular Weight (g/mol): 296.322 MDL Number: MFCD00039527 InChI Key: JOODVYOWCWQPMV-ONEGZZNKSA-N Synonym: e-dimethyl 4,4'-ethene-1,2-diyl dibenzoate,dimethyl 4,4'-stilbenedicarboxylate,dimethyl trans-stilbene-4,4'-dicarboxylate,dimethyl stilbene-4,4'-dicarboxylate,benzoic acid, 4,4'-1e-1,2-ethenediylbis-, dimethyl ester,4,4'-bis carbomethoxy stilbene,methyl 4-1e-2-4-methoxycarbonyl phenyl vinyl benzoate,methyl 4-e-2-4-methoxycarbonyl phenyl ethenyl benzoate,dimethyl 4,4/'-stilbenedicarboxylate PubChem CID: 5378468 IUPAC Name: methyl 4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoate SMILES: COC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OC
6-Methoxy-2-naphthoic acid, 98+%
CAS: 2471-70-7 Molecular Formula: C12H9O3 Molecular Weight (g/mol): 201.20 MDL Number: MFCD00092750 InChI Key: YZBILXXOZFORFE-UHFFFAOYSA-M Synonym: 6-methoxy-2-naphthoic acid,2-naphthalenecarboxylic acid, 6-methoxy,unii-65ih1sv66a,6-methoxy-2-naphthoicacid,6-methoxy-2-naphthalenecarboxylic acid,6-methoxy-naphthalene-2-carboxylic acid,naproxen specified impurity o ep,naproxen impurity o,2-methoxy-6-naphthalenecarboxylic acid,zlchem 1096 PubChem CID: 349181 IUPAC Name: 6-methoxynaphthalene-2-carboxylate SMILES: COC1=CC=C2C=C(C=CC2=C1)C([O-])=O
(4-Benzyloxyphenyl)acetic acid, 99%, Thermo Scientific™
CAS: 6547-53-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00017540 InChI Key: XJHGAJLIKDAOPE-UHFFFAOYSA-N Synonym: 4-benzyloxyphenylacetic acid,2-4-benzyloxy phenyl acetic acid,4-benzyloxy phenyl acetic acid,4-benzyloxyphenyl acetic acid,benzeneacetic acid, 4-phenylmethoxy,4-benzyloxy phenylacetic acid,4-benzyloxy-phenyl-acetic acid,2-4-phenylmethoxyphenyl acetic acid,2-4-phenylmethoxy phenyl acetic acid PubChem CID: 81033 IUPAC Name: 2-(4-phenylmethoxyphenyl)acetic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O
4-Hydroxymethylbenzoic acid, 98%
CAS: 3006-96-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00017598 InChI Key: WWYFPDXEIFBNKE-UHFFFAOYSA-N Synonym: 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd PubChem CID: 76360 IUPAC Name: 4-(hydroxymethyl)benzoic acid SMILES: OCC1=CC=C(C=C1)C(O)=O