Benzene and substituted derivatives
4-(1H-1,2,4-Triazol-1-yl)benzoic acid, 95%, Thermo Scientific™
CAS: 162848-16-0 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.174 MDL Number: MFCD02682060 InChI Key: FOMQQGKCPYKKHQ-UHFFFAOYSA-N PubChem CID: 736531 IUPAC Name: 4-(1,2,4-triazol-1-yl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)N2C=NC=N2
Benzyltri-n-propylammonium chloride, 96%
CAS: 5197-87-5 Molecular Formula: C16H28ClN Molecular Weight (g/mol): 269.86 MDL Number: MFCD00051869 InChI Key: YTRIOKYQEVFKGU-UHFFFAOYSA-M Synonym: benzyltripropylammonium chloride,n-benzyl-n,n-dipropylpropan-1-aminium chloride,benzyl tripropyl ammonium chloride,benzyltri-n-propylammonium chloride,benzyltripropylazanium chloride,benzyl tripropyl azanium chloride,acmc-20alov,c16h28n.cl,benzyl-tri-n-propylammonium chloride PubChem CID: 6097067 IUPAC Name: benzyltripropylazanium chloride SMILES: [Cl-].CCC[N+](CCC)(CCC)CC1=CC=CC=C1
5-Chloro-2-methylaminobenzophenone, 99%
CAS: 1022-13-5 Molecular Formula: C14H12ClNO Molecular Weight (g/mol): 245.71 MDL Number: MFCD00008284 InChI Key: WPNMLCMTDCANOZ-UHFFFAOYSA-N Synonym: 5-chloro-2-methylamino benzophenone,5-chloro-2-methylaminobenzophenone,2-methylamino-5-chlorobenzophenone,5-chloro-2-methylamino phenyl phenyl methanone,methanone, 5-chloro-2-methylamino phenyl phenyl,unii-d4gd5770pi,benzophenone, 5-chloro-2-methylamino,2-benzoyl-4-chloro-n-methylaniline,5-chloro-2-methylamino phenyl phenylmethanone,5-chloro-2-methylamino phenyl-phenylmethanone PubChem CID: 13925 IUPAC Name: [5-chloro-2-(methylamino)phenyl]-phenylmethanone SMILES: CNC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
1,1-Diphenylpropane, 98+%
CAS: 1530-03-6 Molecular Formula: C15H16 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00041670 InChI Key: BUZMJVBOGDBMGI-UHFFFAOYSA-N Synonym: 1,1-diphenylpropane,diphenylpropane,benzene, 1,1'-propylidenebis,propane, diphenyl,1,1-diphenylpropyl,phenylpropyl benzene,3,3-diphenylpropane,acmc-1cujs,1-phenylpropyl benzene # PubChem CID: 73726 IUPAC Name: 1-phenylpropylbenzene SMILES: CCC(C1=CC=CC=C1)C1=CC=CC=C1
Methyl 3-amino-2-hydroxybenzoate, 97%, Thermo Scientific™
CAS: 35748-34-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD09842614 InChI Key: OMWQHVRUXLRZRC-UHFFFAOYSA-N Synonym: 3-amino-2-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-2-hydroxy-, methyl ester,methyl 3-aminosalicylate,methyl3-amino-2-hydroxybenzoate,2-amino-6-methoxycarbonyl phenol,2-hydroxy-3-methoxycarbonyl aniline,methyl-m-aminosalicylat,acmc-209wuz,methyl-3-aminosalicylate,aminohydroxy-benzoic methyl ester PubChem CID: 12782444 IUPAC Name: methyl 3-amino-2-hydroxybenzoate SMILES: COC(=O)C1=C(O)C(N)=CC=C1
Biphenyl-4,4'-dicarbonitrile, 98%
CAS: 1591-30-6 Molecular Formula: C14H8N2 Molecular Weight (g/mol): 204.232 MDL Number: MFCD00013805 InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile PubChem CID: 15321 IUPAC Name: 4-(4-cyanophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
4-Ethylphenylacetonitrile, 97%
CAS: 51632-28-1 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 MDL Number: MFCD00040893 InChI Key: NCPKDFDQDZMXCO-UHFFFAOYSA-N Synonym: 4-ethylphenylacetonitrile,2-4-ethylphenyl acetonitrile,4-ethylphenyl acetonitrile,benzeneacetonitrile, 4-ethyl,2-4-ethylphenyl ethanenitrile,4-ethylbenzylcyanide,p-ethylphenylacetonitrile,acmc-1ao1h PubChem CID: 142867 IUPAC Name: 2-(4-ethylphenyl)acetonitrile SMILES: CCC1=CC=C(CC#N)C=C1
Bis(pentafluorophenyl)phenylphosphine, 90%, tech., Thermo Scientific™
CAS: 5074-71-5 Molecular Formula: C18H5F10P Molecular Weight (g/mol): 442.20 InChI Key: OYNXPGGNQMSMTR-UHFFFAOYSA-N Synonym: bis pentafluorophenyl phenylphosphine,dftpp,decafluorotriphenylphosphine,bis perfluorophenyl phenyl phosphine,bis 2,3,4,5,6-pentafluorophenyl-phenylphosphane,phosphine,bis 2,3,4,5,6-pentafluorophenyl phenyl,bis 2,3,4,5,6-pentafluorophenyl phenyl phosphane,ultramark 443,bis pentafluorophenyl phenyl phosphite,bis pentafluorophenyl phenyl phosphine PubChem CID: 78757 IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)-phenylphosphane SMILES: FC1=C(F)C(F)=C(P(C2=CC=CC=C2)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
Homovanillic acid, 98%
CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O
2,4-Difluorophenylglyoxal hydrate, 95%, dry wt. basis
CAS: 79784-36-4 Molecular Formula: C8H4F2O2 Molecular Weight (g/mol): 170.12 MDL Number: MFCD04038287 InChI Key: AZBQYELTMQNVST-UHFFFAOYSA-N Synonym: 2,4-difluorophenylglyoxal hydrate,2-2,4-difluorophenyl-2-oxoacetaldehyde hydrate,2,4-difluorophenylglyoxal monohydrate,benzeneacetaldehyde,2,4-difluoro-a-oxo,2-2,4-difluorophenyl-2-oxoethanal, hydrate,2-2,4-bis fluoranyl phenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 2782300 IUPAC Name: 2-(2,4-difluorophenyl)-2-oxoacetaldehyde;hydrate SMILES: FC1=CC(F)=C(C=C1)C(=O)C=O
3-Fluorophenylglyoxal hydrate, Thermo Scientific™
CAS: 121247-01-6 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.14 InChI Key: VGFHAWFFIQFSRR-UHFFFAOYSA-N Synonym: 3-fluorophenylglyoxal hydrate,2-3-fluorophenyl-2-oxoacetaldehyde hydrate,acmc-20an3a,3-fluorophenyl glyoxal,3-fluoro-a-oxobenzeneacetaldehyde,benzeneacetaldehyde,3-fluoro-a-oxo,2-3-fluorophenyl-2-oxoethanal, hydrate PubChem CID: 2783267 IUPAC Name: 2-(3-fluorophenyl)-2-oxoacetaldehyde;hydrate SMILES: O.FC1=CC=CC(=C1)C(=O)C=O
3-Ethoxybenzonitrile, 95%
CAS: 25117-75-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00001805 InChI Key: PFNAUBYHTWDKBO-UHFFFAOYSA-N Synonym: benzonitrile, 3-ethoxy,benzonitrile, m-ethoxy,m-ethoxy benzonitrile,acmc-20an4n,3-ethoxybenzenecarbonitrile,3-ethoxybenzoic acid nitrile PubChem CID: 91283 IUPAC Name: 3-ethoxybenzonitrile SMILES: CCOC1=CC=CC(=C1)C#N
3,5-Dimethoxyphenylacetic acid, 98%
CAS: 4670-10-4 MDL Number: MFCD00016827
1-Bromo-2,4-dinitrobenzene, MP Biomedicals
CAS: 584-48-5 Molecular Formula: C6H3BrN2O4 Molecular Weight (g/mol): 247.004 InChI Key: PBOPJYORIDJAFE-UHFFFAOYSA-N Synonym: 2,4-dinitrobromobenzene,4-bromo-1,3-dinitrobenzene,o,p-dinitrophenyl bromide,2,4-dinitrophenyl bromide,dnbb,benzene, 1-bromo-2,4-dinitro,2, 4-dinitrobromobenzene,1-bromo-2,4-dinitrobenze,unii-4ms3ftw380,ccris 1801 PubChem CID: 11441 ChEBI: CHEBI:58999 IUPAC Name: 1-bromo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
4-Iodophenylacetonitrile, 97%
CAS: 51628-12-7 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.047 MDL Number: MFCD00060306 InChI Key: PNXWQTYSBFGIFD-UHFFFAOYSA-N Synonym: 4-iodophenylacetonitrile,2-4-iodophenyl acetonitrile,4-iodobenzyl cyanide,4-iodophenyl acetonitrile,benzeneacetonitrile, 4-iodo,p-iodobenzylcyanide,pubchem19992,acmc-1asuk,4-cyanomethyl phenyl iodide,4-iodo-phenyl-acetonitrile PubChem CID: 142866 IUPAC Name: 2-(4-iodophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)I