Benzene and substituted derivatives
(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%
CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
1-Bromo-2-ethylbenzene, 98%
CAS: 1973-22-4 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000077 InChI Key: HVRUGFJYCAFAAN-UHFFFAOYSA-N PubChem CID: 16089 IUPAC Name: 1-bromo-2-ethylbenzene SMILES: CCC1=CC=CC=C1Br
4-Cyano-4'-n-pentyloxybiphenyl, 99%
CAS: 52364-71-3 Molecular Formula: C18H19NO Molecular Weight (g/mol): 265.356 MDL Number: MFCD00074879 InChI Key: RDISTOCQRJJICR-UHFFFAOYSA-N Synonym: 4'-pentyloxy-1,1'-biphenyl-4-carbonitrile,4-cyano-4'-pentyloxybiphenyl,4-pentyloxy-4'-cyanobiphenyl,4-amyloxycyanodiphenyl,5ocb,1,1'-biphenyl-4-carbonitrile, 4'-pentyloxy,4'-pentyloxy biphenyl-4-carbonitrile,5cob,m 15 liquid crystal,nzh k 1 PubChem CID: 104171 IUPAC Name: 4-(4-pentoxyphenyl)benzonitrile SMILES: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
4'-n-Octyloxybiphenyl-4-carboxylic acid, 99%
CAS: 59748-18-4 Molecular Formula: C21H26O3 Molecular Weight (g/mol): 326.44 MDL Number: MFCD00192369 InChI Key: YNBBQLUKHHSKPW-UHFFFAOYSA-N Synonym: 4'-octyloxy-1,1'-biphenyl-4-carboxylic acid,4'-octyloxy-4-biphenylcarboxylic acid,4-n-octyloxybiphenyl-4'-carboxylic acid,4'-octyloxy biphenyl-4-carboxylic acid,4-4-octyloxyphenyl benzoic acid,4-4-octoxyphenyl benzoic acid,4-4-octyloxy phenyl benzoic acid,4-octyloxybiphenyl-4'carboxylic acid PubChem CID: 2802556 IUPAC Name: 4-(4-octoxyphenyl)benzoic acid SMILES: CCCCCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C(O)=O
p-Tolyl chlorothionoformate, 97%
CAS: 937-63-3 Molecular Formula: C8H7ClOS Molecular Weight (g/mol): 186.65 MDL Number: MFCD00014466 InChI Key: UNCAXIZUVRKBMN-UHFFFAOYSA-N Synonym: 4-methylphenyl chlorothioformate,o-p-tolyl chlorothioformate,p-tolyl chlorothionoformate,4-tolyl chlorothionoformate,4-methylphenyl chloromethanethioate,o-4-methylphenyl chlorothioformate,carbonochloridothioic acid, o-4-methylphenyl ester,o-4-methylphenyl carbonochloridothioate,chlorothioformic acid p-tolyl ester,4-methylphenoxy methanethioyl chloride PubChem CID: 70305 IUPAC Name: O-(4-methylphenyl) chloromethanethioate SMILES: CC1=CC=C(OC(Cl)=S)C=C1
4-Chloro-2-nitrotoluene, 99%
CAS: 89-59-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007215 InChI Key: SQFLFRQWPBEDHM-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrotoluene,2-nitro-4-chlorotoluene,benzene, 4-chloro-1-methyl-2-nitro,4,2-chloronitrotoluene,p-chloro-o-nitrotoluene,toluene, 4-chloro-2-nitro,4-chloro-1-methyl-2-nitro-benzene,ccris 3116,4-chlor-2-nitrotoluol,pubchem18919 PubChem CID: 6975 IUPAC Name: 4-chloro-1-methyl-2-nitrobenzene SMILES: CC1=CC=C(Cl)C=C1[N+]([O-])=O
2-Chloro-6-(trifluoromethyl)aniline, 97%
CAS: 433-94-3 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00272565 InChI Key: OTRRSPQJZRCMDA-UHFFFAOYSA-N Synonym: 2-chloro-6-trifluoromethyl aniline,2-amino-3-chlorobenzotrifluoride,benzenamine, 2-chloro-6-trifluoromethyl,2-chloranyl-6-trifluoromethyl aniline,pubchem2764,2-chloro-6-trifluoromethyl benzenamine,2-chloro-6-trifluoromethyl phenylamine,6-chloro-2-trifluoromethyl phenylamine,2-chloro-6-trifluoromethyl-benzenamine,2-chloro-6-trifluoromethyl aniline 2-amino-3-chlorobenzotrifluoride PubChem CID: 2756384 IUPAC Name: 2-chloro-6-(trifluoromethyl)aniline SMILES: NC1=C(Cl)C=CC=C1C(F)(F)F
2,3,4,5,6-Pentafluorophenylacetonitrile, 98%, Thermo Scientific Chemicals
CAS: 653-30-5 Molecular Formula: C8H2F5N Molecular Weight (g/mol): 207.103 MDL Number: MFCD00013814 InChI Key: YDNOJUAQBFXZCR-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorophenylacetonitrile,pentafluorophenylacetonitrile,pentafluorophenyl acetonitrile,2-2,3,4,5,6-pentafluorophenyl acetonitrile,2,3,4,5,6-pentafluorobenzyl cyanide,2-perfluorophenyl acetonitrile,benzeneacetonitrile, 2,3,4,5,6-pentafluoro,2-2,3,4,5,6-pentafluorophenyl ethanenitrile,acmc-1ay9x,2-pentafluorophenyl acetonitrile PubChem CID: 69554 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetonitrile SMILES: C(C#N)C1=C(C(=C(C(=C1F)F)F)F)F
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 97%
CAS: 122-48-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00048232 InChI Key: OJYLAHXKWMRDGS-UHFFFAOYSA-N Synonym: zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl PubChem CID: 31211 ChEBI: CHEBI:68657 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC
2-Benzyloxy-2-methyl-1-propanol, 95%, Thermo Scientific Chemicals
CAS: 91968-71-7 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD08459314 InChI Key: FRHJVAJQSPVSKV-UHFFFAOYSA-N Synonym: 2-benzyloxy-2-methylpropan-1-ol,2-benzyloxy-2-methyl-1-propanol,2-methyl-2-phenylmethoxy propan-1-ol PubChem CID: 42552903 IUPAC Name: 2-methyl-2-phenylmethoxypropan-1-ol SMILES: CC(C)(CO)OCC1=CC=CC=C1
3-Methyl-2-nitrobenzoic acid, 98%
CAS: 5437-38-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007180 InChI Key: DGDAVTPQCQXLGU-UHFFFAOYSA-N Synonym: 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 PubChem CID: 21575 IUPAC Name: 3-methyl-2-nitrobenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O
3-Fluoro-4-nitrobenzyl bromide, 97%
CAS: 131858-37-2 Molecular Formula: C7H5BrFNO2 Molecular Weight (g/mol): 234.02 MDL Number: MFCD03094237 InChI Key: ZOZJSWIXPIVMRU-UHFFFAOYSA-N Synonym: 3-fluoro-4-nitrobenzyl bromide,4-bromomethyl-2-fluoro-1-nitrobenzene,4-bromomethyl-2-fluoronitrobenzene,benzene, 4-bromomethyl-2-fluoro-1-nitro,intermediates-zcf02012,acmc-1c6h7,4-bromomethyl-2-fluoro-1-nitro-benzene,benzene,4-bromomethyl-2-fluoro-1-nitro,4-bromomethyl-2-fluoranyl-1-nitro-benzene PubChem CID: 2774661 IUPAC Name: 4-(bromomethyl)-2-fluoro-1-nitrobenzene SMILES: [O-][N+](=O)C1=C(F)C=C(CBr)C=C1
4-Hydroxy-3-(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™
CAS: 220239-68-9 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD01091008 InChI Key: DPVRVZQEDJVWLS-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethyl benzoic acid,benzoic acid, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzoicacid,acmc-1cdpd,ksc495o6p,4-hydroxy-3-trifluoromethyl-benzoic acid,4-oxidanyl-3-trifluoromethyl benzoic acid PubChem CID: 2775112 IUPAC Name: 4-hydroxy-3-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=C(O)C=C1)C(F)(F)F
Hydroquinone-O,O'-diacetic acid, 98%
CAS: 2245-53-6 Molecular Formula: C10H10O6 Molecular Weight (g/mol): 226.18 MDL Number: MFCD00016816 InChI Key: DNXOCFKTVLHUMU-UHFFFAOYSA-N Synonym: 2,2'-1,4-phenylenebis oxy diacetic acid,1,4-phenylenedioxydiacetic acid,hydroquinone-o,o'-diacetic acid,1,4-dicarboxymethoxybenzene,hydroquinone-o,o-diacetic acid,acetic acid, p-phenylenedioxy di,acetic acid, 2,2'-1,4-phenylenebis oxy bis,2-4-carboxymethoxy phenoxy acetic acid PubChem CID: 75251 IUPAC Name: 2-[4-(carboxymethoxy)phenoxy]acetic acid SMILES: OC(=O)COC1=CC=C(OCC(O)=O)C=C1
3-Bromophenylhydrazine hydrochloride, 98%
CAS: 27246-81-7 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.50 MDL Number: MFCD00012933 InChI Key: RPYIPFXHIKXRKS-UHFFFAOYSA-N Synonym: 3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx PubChem CID: 33757 IUPAC Name: (3-bromophenyl)hydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC(Br)=C1