Benzene and substituted derivatives
Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)
CAS: 16971-33-8 Molecular Formula: C55H46ClOP3Ru Molecular Weight (g/mol): 952.41 MDL Number: MFCD00049804 InChI Key: IMPHYUNMDWWJAH-UHFFFAOYSA-M Synonym: carbonylchlorohydridotris triphenylphosphine-ruthenium ii PubChem CID: 71463878 IUPAC Name: formaldehyde;hydride;ruthenium(2+);triphenylphosphane;chloride SMILES: Cl[RuH++].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
5-Bromo-2-hydroxybenzyl alcohol, 98%
CAS: 2316-64-5 Molecular Formula: C7H7BrO2 Molecular Weight (g/mol): 203.04 MDL Number: MFCD00004618 InChI Key: KNKRHSVKIORZQB-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxybenzyl alcohol,4-bromo-2-hydroxymethyl phenol,bromosaligenin,5-bromosalicyl alcohol,bromsalizol,5-bromosaligenin,5-bromo-2-hydroxybenzylalcohol,2-hydroxymethyl-4-bromophenol,benzenemethanol, 5-bromo-2-hydroxy,unii-y1uz53815e PubChem CID: 75342 IUPAC Name: 4-bromo-2-(hydroxymethyl)phenol SMILES: OCC1=CC(Br)=CC=C1O
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
4-Bromo-2-fluorobenzyl cyanide, 98+%, Thermo Scientific™
CAS: 114897-91-5 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD07368653 InChI Key: QLASQEZPJFNZQC-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl cyanide,2-4-bromo-2-fluorophenyl acetonitrile,4-bromo-2-fluorophenylacetonitrile,2-fluoro-4-bromophenylacetonitrile,benzeneacetonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorophenyl acetonitrile,2-4-bromo-2-fluorophenyl ethanenitrile,4-bromo-2-fluorobenzylcyanide,pubchem10413,acmc-2099lv PubChem CID: 7172308 IUPAC Name: 2-(4-bromo-2-fluorophenyl)acetonitrile SMILES: FC1=CC(Br)=CC=C1CC#N
4-bromo-1-fluoro-2-nitrobenzene, 98%
CAS: 364-73-8 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 220.00 MDL Number: MFCD00129165 InChI Key: UQEANKGXXSENNF-UHFFFAOYSA-N Synonym: 5-bromo-2-fluoronitrobenzene,1-bromo-4-fluoro-3-nitrobenzene,2-fluoro-5-bromonitrobenzene,4-bromo-1-fluoro-2-nitro-benzene,benzene, 4-bromo-1-fluoro-2-nitro,pubchem1046,5-bromo-fluoronitrobenzene,acmc-1cpc6,5-bromo-2-fluronitrobenzene,ksc226i7f PubChem CID: 2736328 IUPAC Name: 4-bromo-1-fluoro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Br)=CC=C1F
Trityl Tetrakis(pentafluorophenyl)borate, 97%
CAS: 136040-19-2 Molecular Formula: C43H15BF20 Molecular Weight (g/mol): 922.37 MDL Number: MFCD03426981 InChI Key: TZOSNOQHGGONMD-UHFFFAOYSA-N Synonym: triphenylmethylium tetrakis perfluorophenyl borate,trityl tetrakis pentafluorophenyl borate,trityl tetrapentafluorophenyl borate,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-,triphenylcarbenium tetrakis pentafluorophenyl borate,methylium, triphenyl-, tetrakis 2,3,4,5,6-pentafluorophenyl borate 1-1:1,tetrakis 2,3,4,5,6-pentafluorophenyl boranuide; triphenylmethylium,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-1:1,tritylium tetrakis pentafluorophenyl borate,triphenylmethyliumtetrakis pentafluorophenyl borate PubChem CID: 9832824 SMILES: C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F
2-Methylanisole, 99%
CAS: 578-58-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008373 InChI Key: DTFKRVXLBCAIOZ-UHFFFAOYSA-N Synonym: 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene PubChem CID: 33637 IUPAC Name: 1-methoxy-2-methylbenzene SMILES: CC1=CC=CC=C1OC
4-Fluorophenylhydrazine hydrochloride, 97%
CAS: 823-85-8 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.59 MDL Number: MFCD00012942 InChI Key: FEKUXLUOKFSMRO-UHFFFAOYSA-N Synonym: 4-fluorophenylhydrazine hydrochloride,4-fluorophenyl hydrazine hydrochloride,4-fluorophenylhydrazine hcl,1-4-fluorophenyl hydrazine hydrochloride,4-fluorophenyl hydrazine hcl,p-fluorophenylhydrazine hydrochloride,4-fluorphenyl hydrazine hydrochloride,4-fluorophenyl hydrazine monohydrochloride,p-fluorophenylhydrazine hcl,hydrazine, 4-fluorophenyl-, monohydrochloride PubChem CID: 69981 SMILES: [H+].[Cl-].NNC1=CC=C(F)C=C1
Tosylmethyl isocyanide, 98%
CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
2,2'-Bis(trifluoromethyl)benzidine, 97%
CAS: 341-58-2 Molecular Formula: C14H10F6N2 Molecular Weight (g/mol): 320.24 MDL Number: MFCD00190155 InChI Key: NVKGJHAQGWCWDI-UHFFFAOYSA-N Synonym: 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline PubChem CID: 629349 IUPAC Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline SMILES: NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F
4-Nitrophthalic acid, 99%
CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
4-Nitrobenzoic acid, 99+%
CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Phenylurea, 97%
CAS: 64-10-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N
o-Phenylenediacetonitrile, 99+%
CAS: 613-73-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00001905 InChI Key: FWPFXBANOKKNBR-UHFFFAOYSA-N Synonym: 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile PubChem CID: 69180 IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile SMILES: N#CCC1=CC=CC=C1CC#N
3-Phenyl-1-propylamine, 98%
CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1