Benzene and substituted derivatives
3-(Aminomethyl)benzeneboronic acid hydrochloride, 96%
CAS: 352525-94-1 Molecular Formula: C7H11BClNO2 Molecular Weight (g/mol): 187.43 MDL Number: MFCD02093050 InChI Key: NPTBTFRGCBFYPZ-UHFFFAOYSA-N Synonym: 3-aminomethyl phenyl boronic acid hydrochloride,3-aminomethyl phenylboronic acid hydrochloride,3-aminomethylphenylboronic acid hydrochloride,3-aminomethylphenyl boronic acid hydrochloride,3-aminomethylphenylboronic acid hcl,3-aminomethylphenyl boronic acid hcl,boronic acid, 3-aminomethyl phenyl-, hydrochloride,3-aminomethylphenylboronic acid, hcl PubChem CID: 16427085 IUPAC Name: [3-(aminomethyl)phenyl]boronic acid;hydrochloride SMILES: B(C1=CC(=CC=C1)CN)(O)O.Cl
4-Bromo-2-chloro-1-fluorobenzene, 98+%
CAS: 60811-21-4 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00051794 InChI Key: CJTIWGBQCVYTQE-UHFFFAOYSA-N Synonym: 1-bromo-3-chloro-4-fluorobenzene,3-chloro-4-fluorobromobenzene,4-bromo-2-chlorofluorobenzene,3-chloro-4-fluorobenzene bromide,4-bromo-2-chloro-fluorobenzene,4-bromo-2-chloro-1-fluoro-benzene,benzene, 4-bromo-2-chloro-1-fluoro,pubchem2169,acmc-209mma,ksc493o4n PubChem CID: 3543065 IUPAC Name: 4-bromo-2-chloro-1-fluorobenzene SMILES: FC1=C(Cl)C=C(Br)C=C1
4-Fluorophenylsulfonylacetonitrile, 97%
CAS: 32083-66-2 Molecular Formula: C8H6FNO2S Molecular Weight (g/mol): 199.199 MDL Number: MFCD00179339 InChI Key: WBXJZTLPEMITJL-UHFFFAOYSA-N Synonym: 4-fluorobenzenesulfonyl acetonitrile,2-4-fluorophenyl sulfonyl acetonitrile,4-fluorobenzenesulphonyl acetonitrile,4-fluorophenyl sulfonyl acetonitrile,2-4-fluorobenzenesulfonyl acetonitrile,4-fluorophenylsulfonylacetonitrile,4-fluorobenzenesulfonylacetonitrile,2-4-fluorophenyl sulfonylacetonitrile,4-fluorophenylsulfonyl acetonitrile PubChem CID: 565732 IUPAC Name: 2-(4-fluorophenyl)sulfonylacetonitrile SMILES: C1=CC(=CC=C1F)S(=O)(=O)CC#N
2-Bromo-1,3,5-trifluorobenzene, 98+%
CAS: 2367-76-2 Molecular Formula: C6H2BrF3 Molecular Weight (g/mol): 210.98 MDL Number: MFCD00000334 InChI Key: PZBSPSOGEVCRQI-UHFFFAOYSA-N Synonym: 1-bromo-2,4,6-trifluorobenzene,2,4,6-trifluorobromobenzene,2-bromo-1,3,5-trifluoro-benzene,benzene, 2-bromo-1,3,5-trifluoro,1-bromo-2,4,6-trifluoro benzene,1,3,5-trifluoro-2-bromobenzene,fr cf ef be,pubchem4306,acmc-1cbzk,intermediates-zcf02629 PubChem CID: 75398 IUPAC Name: 2-bromo-1,3,5-trifluorobenzene SMILES: FC1=CC(F)=C(Br)C(F)=C1
4-Nitrobenzophenone, 99%
CAS: 1144-74-7 Molecular Formula: C13H9NO3 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00007354 InChI Key: ZYMCBJWUWHHVRX-UHFFFAOYSA-N Synonym: 4-nitrobenzophenone,p-nitrobenzophenone,4-nitrophenyl phenyl methanone,benzophenone, 4-nitro,methanone, 4-nitrophenyl phenyl,4-nitrophenyl phenyl ketone,4-nitrophenyl-phenylmethanone,4-nitrophenyl-phenyl-methanone,4-nitro-benzophenone PubChem CID: 70839 IUPAC Name: (4-nitrophenyl)-phenylmethanone SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1
2,6-Dichloro-3-nitrotoluene, 99%
CAS: 29682-46-0 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00024185 InChI Key: WBNZUUIFTPNYRN-UHFFFAOYSA-N Synonym: 2,6-dichloro-3-nitrotoluene,benzene, 1,3-dichloro-2-methyl-4-nitro,2,4-dichloro-3-methylnitrobenzene,pubchem4540,acmc-209hao,ksc495g5p,wbnzuuiftpnyrn-uhfffaoysa,2,4-dichloro-3-methyl-1-nitrobenzene,1,3-dichloro-2-methyl-4-nitro-benzene PubChem CID: 97155 IUPAC Name: 1,3-dichloro-2-methyl-4-nitrobenzene SMILES: CC1=C(Cl)C=CC(=C1Cl)[N+]([O-])=O
4-Ethylbenzaldehyde, 97%
CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N Synonym: p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O
3,4-Dimethoxyphenylacetic acid, 98%
CAS: 93-40-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00004335 InChI Key: WUAXWQRULBZETB-UHFFFAOYSA-N Synonym: homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl PubChem CID: 7139 ChEBI: CHEBI:86655 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC
4-Methyl-3-nitrobenzeneboronic acid, 98%
CAS: 80500-27-2 Molecular Formula: C7H8BNO4 Molecular Weight (g/mol): 180.954 MDL Number: MFCD00191550 InChI Key: OASVXBRTNVFKFS-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid PubChem CID: 2773515 IUPAC Name: (4-methyl-3-nitrophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
2-Chloro-6-nitrobenzoic acid, 99%
CAS: 5344-49-0 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00100425 InChI Key: JYHOMEFOTKWQPN-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid # PubChem CID: 79287 SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]
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
5-Chloro-2-nitrobenzamide, 98+%
CAS: 40763-96-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017509 InChI Key: MKHXTOPPKVFSFI-UHFFFAOYSA-N Synonym: benzamide, 5-chloro-2-nitro,acmc-209jgl,5-chloro-2-nitrobenzamid,2-nitro-5-chlorobenzamide,2-carbamoyl-4-chloronitrobenzene,5-chloro-2-nitrobenzamide PubChem CID: 2723672 IUPAC Name: 5-chloro-2-nitrobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)[N+](=O)[O-]
3,4,5-Trimethoxyphenyl isocyanate, 97%
CAS: 1016-19-9 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.20 MDL Number: MFCD00013861 InChI Key: MJJXWPHZDBIHIM-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenyl isocyanate,3,4,5-trimethoxyphenyl cyanate,3,4,5-trimethoxybenzenisocyanate,acmc-20ang3,3,4,5-trimethoxyphenylisocyanate,3,4,5-trimetoxyphenyl ispcyanate,3, 4, 5-trimethoxyphenylisocyanate,3,4,5-trimethoxy-isocyanato benzene,5-isocyanato-1,2,3-trimethoxy-benzene PubChem CID: 517766 IUPAC Name: 5-isocyanato-1,2,3-trimethoxybenzene SMILES: COC1=CC(=CC(OC)=C1OC)N=C=O
Sodium 3-nitrobenzoate, 94%, may contain up to ca 10% water
CAS: 827-95-2 Molecular Formula: C7H4NNaO4 Molecular Weight (g/mol): 189.10 MDL Number: MFCD00150535,MFCD00051097 InChI Key: MUADFEZFSKAZLT-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733 PubChem CID: 70014 IUPAC Name: sodium;3-nitrobenzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O
Ethyltriphenylphosphonium iodide, 98+%
CAS: 4736-60-1 Molecular Formula: C20H20IP Molecular Weight (g/mol): 418.26 MDL Number: MFCD00040352 InChI Key: SLAFUPJSGFVWPP-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide PubChem CID: 78474 IUPAC Name: ethyl(triphenyl)phosphanium;iodide SMILES: [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1