Benzene and substituted derivatives
4-Aminobenzyl cyanide, 99%
CAS: 3544-25-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00007912 InChI Key: YCWRFIYBUQBHJI-UHFFFAOYSA-N Synonym: 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl PubChem CID: 77000 IUPAC Name: 2-(4-aminophenyl)acetonitrile SMILES: NC1=CC=C(CC#N)C=C1
2-Bromobenzyl alcohol, 98%
CAS: 18982-54-2 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004600 InChI Key: IOWGHQGLUMEZKG-UHFFFAOYSA-N Synonym: 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 PubChem CID: 72850 IUPAC Name: (2-bromophenyl)methanol SMILES: OCC1=CC=CC=C1Br
1-(Phenylsulfonyl)-1H-pyrrole, 97%, Thermo Scientific™
CAS: 16851-82-4 Molecular Formula: C10H9NO2S Molecular Weight (g/mol): 207.25 MDL Number: MFCD00067739 InChI Key: PPPXRIUHKCOOMU-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl pyrrole,1-phenylsulfonyl-1h-pyrrole,n-benzenesulphonylpyrrole,1-benzenesulfonyl pyrrole,n-benzenesulfonylpyrrole,1-benzenesulfonyl-1h-pyrrole,n-phenylsulfonylpyrrole,phenylsulfonyl pyrrole,1h-pyrrole,1-phenylsulfonyl,1h-pyrrole, 1-phenylsulfonyl PubChem CID: 140146 IUPAC Name: 1-(benzenesulfonyl)pyrrole SMILES: O=S(=O)(N1C=CC=C1)C1=CC=CC=C1
4-n-Hexyloxyaniline, 99%
CAS: 39905-57-2 Molecular Formula: C12H19NO Molecular Weight (g/mol): 193.29 MDL Number: MFCD00007868 InChI Key: DJRKHTCUXRGYEU-UHFFFAOYSA-N Synonym: 4-hexyloxyaniline,4-hexyloxy aniline,p-hexyloxyaniline,benzenamine, 4-hexyloxy,4-n-hexyloxyaniline,p-hexyloxy aniline,4-hexyloxy benzenamine,unii-vmx449yp3l,aniline, p-hexyloxy,vmx449yp3l PubChem CID: 38360 IUPAC Name: 4-hexoxyaniline SMILES: CCCCCCOC1=CC=C(N)C=C1
(2-Carboxyethyl)triphenylphosphonium bromide, 97%
CAS: 51114-94-4 Molecular Formula: C21H20BrO2P Molecular Weight (g/mol): 415.27 MDL Number: MFCD00031698 InChI Key: BVKRDNIULHRLCO-UHFFFAOYSA-N Synonym: 2-carboxyethyl triphenylphosphonium bromide,2-carboxyethyl triphenylphosponium bromide,phosphonium, 2-carboxyethyl triphenyl-, bromide,2-carboxyethyl triphenylphosphanium bromide,c21h20o2p.br,2-carboxyethyl-triphenylphosphonium bromide,2-carboxyethyl triphenyl phosphanium bromide,2-carboxyethyl triphenyl phosphonium bromide PubChem CID: 2733850 IUPAC Name: 2-carboxyethyl(triphenyl)phosphanium;bromide SMILES: [Br-].OC(=O)CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
4-Amino-2-(trifluoromethyl)benzonitrile, 97%
CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD00042155 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N
4-Cyanostyrene, 97%, stab. with 0.05% 4-tert-butyl catechol
CAS: 3435-51-6 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00080445 InChI Key: SNTUCKQYWGHZPK-UHFFFAOYSA-N PubChem CID: 76967 IUPAC Name: 4-ethenylbenzonitrile SMILES: C=CC1=CC=C(C=C1)C#N
2-Bromomethyl-4-fluorobenzonitrile, 98%
CAS: 421552-12-7 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD08059542 InChI Key: CHCAGFNTASDQFX-UHFFFAOYSA-N Synonym: 2-cyano-5-fluorobenzyl bromide,2-bromomethyl-4-fluorobenzonitrile,2-cyano-5-fluorobenzylbromide,2-cyano-5-fluoro benzyl bromide,2-bromomethyl-4-fluoro-benzonitrile,2-bromomethyl-4-fluorobenzenecarbonitrile,pubchem4906,acmc-1arut,ksc493s9t,2-cyano-5-flurobenzyl bromide PubChem CID: 21984990 IUPAC Name: 2-(bromomethyl)-4-fluorobenzonitrile SMILES: FC1=CC(CBr)=C(C=C1)C#N
4-Methoxyphenylacetone, 98+%
CAS: 122-84-9 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00008773 InChI Key: WFWKNGZODAOLEO-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetone,p-acetonylanisole,anisketone,1-4-methoxyphenyl propan-2-one,2-propanone, 1-4-methoxyphenyl,anisyl methyl ketone,p-methoxyphenylacetone,4-methoxybenzyl methyl ketone,1-p-methoxyphenyl-2-propanone,anisic ketone PubChem CID: 31231 IUPAC Name: 1-(4-methoxyphenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(C=C1)OC
2-(1-Adamantyl)-4-methylphenol, 99%
CAS: 41031-50-9 Molecular Formula: C17H22O Molecular Weight (g/mol): 242.36 MDL Number: MFCD00168147 InChI Key: XHLJIHBDAJFXBE-UHFFFAOYSA-N Synonym: 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl PubChem CID: 617992 IUPAC Name: 2-(1-adamantyl)-4-methylphenol SMILES: CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2
1-Bromo-3-n-hexylbenzene, 97+%
CAS: 38409-59-5 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.172 MDL Number: MFCD09909567 InChI Key: HZUVRCRPECDFAT-UHFFFAOYSA-N Synonym: 1-bromo-3-n-hexylbenzene,1-bromo-3-hexyl-benzene,3-hexylbromobenzene,3-n-hexyl bromobenzene,#,benzene, 1-bromo-3-hexyl PubChem CID: 563022 IUPAC Name: 1-bromo-3-hexylbenzene SMILES: CCCCCCC1=CC(=CC=C1)Br
4-tert-Pentylphenol, 99%
CAS: 80-46-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002369 InChI Key: NRZWYNLTFLDQQX-UHFFFAOYSA-N Synonym: 4-tert-amylphenol,4-tert-pentylphenol,p-tert-amylphenol,p-tert-pentylphenol,4-t-amylphenol,4-1,1-dimethylpropyl phenol,amilphenol,amilfenol,pentaphen,tert-amylphenol PubChem CID: 6643 ChEBI: CHEBI:35096 IUPAC Name: 4-(2-methylbutan-2-yl)phenol SMILES: CCC(C)(C)C1=CC=C(C=C1)O
Methyl 3,4-dichlorobenzoate, 97%, Thermo Scientific Chemicals
CAS: 2905-68-2 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00018165 InChI Key: WICGATIORFSOJL-UHFFFAOYSA-N PubChem CID: 76193 IUPAC Name: methyl 3,4-dichlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(Cl)=C1
2-Methyl-5-nitroaniline, 98+%
CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O
1-Bromo-4-isopropylbenzene, 97%
CAS: 586-61-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00039159 InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N Synonym: 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane PubChem CID: 11462 IUPAC Name: 1-bromo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(Br)C=C1