Benzene and substituted derivatives
3-Chloro-4-(trifluoromethyl)benzeneboronic acid, 97%
CAS: 847756-88-1 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD03788417 InChI Key: OCHKTAGGJMWISO-UHFFFAOYSA-N Synonym: 3-chloro-4-trifluoromethyl phenylboronic acid,3-chloro-4-trifluoromethylphenylboronic acid,3-chloro-4-trifluoromethyl benzeneboronic acid,3-chloro-4-trifluoromethyl phenyl boronic acid,4-borono-2-chlorobenzotrifluoride,boronic acid, 3-chloro-4-trifluoromethyl phenyl,pubchem23707,acmc-209pwg PubChem CID: 3772958 IUPAC Name: [3-chloro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(F)(F)F)Cl)(O)O
4-(Trifluoromethyl)benzonitrile, 98%
CAS: 455-18-5 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001826 InChI Key: DRNJIKRLQJRKMM-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzonitrile,benzonitrile, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-tolunitrile,4-cyanobenzotrifluoride,p-trifluoromethylbenzonitrile,p-trifluoromethyl benzonitrile,benzonitrile, p-trifluoromethyl,p-trifluoromethylbenonitrile,para-trifluoromethyl-benzonitrile,p-cyanobenzotrifluoride PubChem CID: 67995 IUPAC Name: 4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C(F)(F)F
2-Phenoxybenzoic acid, 98%
CAS: 2243-42-7 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002429 InChI Key: PKRSYEPBQPFNRB-UHFFFAOYSA-N Synonym: o-phenoxybenzoic acid,benzoic acid, 2-phenoxy,benzoic acid, o-phenoxy,phenoxybenzoic acid,ortho-phenoxybenzoic acid,2-phenoxybenzoicacid,2-carboxydiphenyl ether,2-phenoxy-benzoic acid,o-phenoxybenzoic acid,o-carboxydiphenyl ether PubChem CID: 75237 ChEBI: CHEBI:72636 IUPAC Name: 2-phenoxybenzoic acid SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
1-Phenyl-1,2-propanedione-2-oxime, 99%
CAS: 119-51-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002115 InChI Key: YPINLRNGSGGJJT-JXMROGBWSA-N Synonym: 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone PubChem CID: 9566063 IUPAC Name: (2E)-2-hydroxyimino-1-phenylpropan-1-one SMILES: C\C(=N/O)C(=O)C1=CC=CC=C1
4-Chlorobenzhydrazide, 98%
CAS: 536-40-3 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.60 MDL Number: MFCD00007603 InChI Key: PKBGHORNUFQAAW-UHFFFAOYSA-N Synonym: 4-chlorobenzhydrazide,4-chlorobenzoylhydrazine,4-chlorobenzoic hydrazide,p-chlorobenzohydrazide,4-chlorobenzoic acid hydrazide,p-chlorobenzoylhydrazine,p-chlorobenzoic hydrazide,p-chlorobenzoyl hydrazide,4-chlorobenzoyl hydrazide,p-chlorobenzoic acid, hydrazide PubChem CID: 10816 IUPAC Name: 4-chlorobenzohydrazide SMILES: NNC(=O)C1=CC=C(Cl)C=C1
o-Tolylacetonitrile, 98+%
CAS: 22364-68-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00001904 InChI Key: WMGVPDQNPUQRND-UHFFFAOYSA-N Synonym: 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile PubChem CID: 31155 ChEBI: CHEBI:27982 IUPAC Name: 2-(2-methylphenyl)acetonitrile SMILES: CC1=CC=CC=C1CC#N
(3-Phenylpropyl)triphenylphosphonium bromide, 97+%
CAS: 7484-37-9 Molecular Formula: C27H26BrP Molecular Weight (g/mol): 461.38 MDL Number: MFCD00051886 InChI Key: RPUZOJFXAPSSJD-UHFFFAOYSA-M Synonym: 3-phenylpropyl triphenylphosphonium bromide,triphenyl 3-phenylpropyl phosphonium bromide,triphenyl 3-phenylpropyl phosphanium bromide,3-phenylpropyltriphenylphosphoniumbromide,phenylpropyl triphenylphosphonium bromide,3-phenylpropyltriphenylphosphonium bromide,triphenyl 3-phenylpropylphosphonium bromide,3-phenyl-propyl-triphenylphosphonium bromide,3-phenylpropyl triphenyl phosphonium bromide PubChem CID: 10928647 IUPAC Name: triphenyl(3-phenylpropyl)phosphanium;bromide SMILES: [Br-].C(CC1=CC=CC=C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Dinonyl phthalate, mixture of isomers, 96%
CAS: 84-76-4 Molecular Formula: C26H42O4 Molecular Weight (g/mol): 418.62 MDL Number: MFCD00036237 InChI Key: DROMNWUQASBTFM-UHFFFAOYSA-N Synonym: dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 PubChem CID: 6787 IUPAC Name: dinonyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
Methyl 4-fluoro-2-methylbenzoate, 98%
CAS: 174403-69-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD06203790 InChI Key: ZQFCTCYDRQFPBU-UHFFFAOYSA-N Synonym: benzoic acid, 4-fluoro-2-methyl-, methyl ester,4-fluoro-2-methylbenzoic acid methyl ester,rarechem al bf 0506,methyl=4-fluoro-2-methylbenzoate,4-fluoro-2-methyl benzoic acid methyl ester,4-fluoro-2-methyl-benzoic acid methyl ester,benzoic acid,4-fluoro-2-methyl-,methyl ester PubChem CID: 2782181 IUPAC Name: methyl 4-fluoro-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=C(F)C=C1
4-Bromofluorobenzene, 99%
CAS: 460-00-4 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175.00 MDL Number: MFCD00000342 InChI Key: AITNMTXHTIIIBB-UHFFFAOYSA-N Synonym: 4-bromofluorobenzene,p-bromofluorobenzene,p-fluorobromobenzene,4-fluorobromobenzene,benzene, 1-bromo-4-fluoro,4-fluorophenyl bromide,1-fluoro-4-bromobenzene,4-fluoro-1-bromobenzene,p-fluorophenyl bromide,bromo fluorobenzene PubChem CID: 9993 IUPAC Name: 1-bromo-4-fluorobenzene SMILES: FC1=CC=C(Br)C=C1
3-Aminophthalic acid hydrochloride dihydrate, 96%
CAS: 1852533-96-0 Molecular Formula: C8H8ClNO4 Molecular Weight (g/mol): 217.605 MDL Number: MFCD00150282 InChI Key: ZBZAVEORKXFUQB-UHFFFAOYSA-N Synonym: 3-aminophthalic acid hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride 1:1,phthalic acid, hydrochloride,1, 3-amino-, hydrochloride,3-aminobenzene-1,2-dicarboxylic acid hydrochloride,3-amino phthalic acid hydrochloride,phthalic acid, 3-amino-, hydrochloride,acmc-1b7k3,ghl.pd_mitscher_leg0.1315 PubChem CID: 81375 IUPAC Name: 3-aminophthalic acid;hydrochloride SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl
2-Nitrobenzoic acid, 95%
CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
4-Fluorotoluene, 99%
CAS: 352-32-9 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000358 InChI Key: WRWPPGUCZBJXKX-UHFFFAOYSA-N Synonym: 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene PubChem CID: 9603 IUPAC Name: 1-fluoro-4-methylbenzene SMILES: CC1=CC=C(C=C1)F
3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone, 98%
CAS: 175136-66-0 Molecular Formula: C17H6F12O Molecular Weight (g/mol): 454.215 MDL Number: MFCD00042474 InChI Key: GATWMPGNBWPCIY-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetrakis trifluoromethyl benzophenone,bis 3,5-bis trifluoromethyl phenyl methanone,maybridge1_002937,acmc-1c7yy,bis 3,5-bis trifluoromethyl phenyl ketone,di 3,5-di trifluoromethyl phenyl methanone,bis 3,5-bis trifluoromethyl phenyl methanone #,3,3/',5,5/'-tetrakis trifluoromethyl benzophenone PubChem CID: 519439 IUPAC Name: bis[3,5-bis(trifluoromethyl)phenyl]methanone SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
Ethyl 4-chlorobenzoate, 98+%
CAS: 7335-27-5 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00013645 InChI Key: RWBYCMPOFNRISR-UHFFFAOYSA-N Synonym: ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705 PubChem CID: 81785 IUPAC Name: ethyl 4-chlorobenzoate SMILES: CCOC(=O)C1=CC=C(Cl)C=C1