Benzene and substituted derivatives
N-Boc-beta-phenyl-D-phenylalanine, 98%
CAS: 143060-31-5 Molecular Formula: C20H23NO4 Molecular Weight (g/mol): 341.41 MDL Number: MFCD00191187 InChI Key: TYJDOLCFYZSNQC-UHFFFAOYNA-N Synonym: boc-d-3,3-diphenylalanine,boc-d-ala 3,3-diphenyl-oh,r-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,boc-3,3-diphenyl-d-alanine,r-n-boc-2-amino-3,3-diphenylpropionic acid,n-boc-beta-phenyl-d-phenylalanine,n-tert-butoxycarbonyl-beta-phenyl-d-phenylalanine,2r-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,n-tert-butoxycarbonyl-3-phenyl-l-phenylalanine,n-boc-b-phenyl-d-phenylalanine PubChem CID: 7019136 SMILES: CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O
3-Benzyloxyaniline, 98%
CAS: 1484-26-0 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00007784 InChI Key: IGPFOKFDBICQMC-UHFFFAOYSA-N Synonym: 3-benzyloxyaniline,3-benzyloxy aniline,benzenamine, 3-phenylmethoxy,unii-iab1vda972,3-benzyloxy-phenylamine,iab1vda972,3-phenylmethyl oxy aniline,3-phenylmethoxy phenylamine,3-benzyloxy benzenamine,3-benyloxyaniline PubChem CID: 92892 IUPAC Name: 3-phenylmethoxyaniline SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N
2-Chloro-4-fluoro-5-nitrotoluene, 97%, Thermo Scientific Chemicals
CAS: 112108-73-3 Molecular Formula: C7H5ClFNO2 Molecular Weight (g/mol): 189.57 MDL Number: MFCD11110549 InChI Key: YXVJHZWHPLOEAP-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-5-nitrotoluene,1-chloro-5-fluoro-2-methyl-4-nitro-benzene,benzene, 1-chloro-5-fluoro-2-methyl-4-nitro,acmc-2099cn,ksc682i1p,2-chloro-4fluoro-5-nitrotoluene,1-chloranyl-5-fluoranyl-2-methyl-4-nitro-benzene PubChem CID: 10103979 IUPAC Name: 1-chloro-5-fluoro-2-methyl-4-nitrobenzene SMILES: CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-]
3-(Cyanomethyl)benzeneboronic acid, 96%
CAS: 220616-39-7 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.97 MDL Number: MFCD03788026 InChI Key: JFMYJQMAPRBDFF-UHFFFAOYSA-N Synonym: 3-cyanomethylphenylboronic acid,3-cyanomethyl phenyl boronic acid,3-cyanomethyl phenylboronic acid,3-cyanomethyl benzeneboronic acid,3-boronophenyl acetonitrile,boronic acid, 3-cyanomethyl phenyl,3-cyanomethylphenyl boronic acid,boronic acid,b-3-cyanomethyl phenyl,acmc-1cme7 PubChem CID: 2773344 IUPAC Name: [3-(cyanomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(CC#N)=C1
Methyl 2-amino-5-methoxybenzoate, 96%
CAS: 2475-80-1 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD09038482 InChI Key: MOVBJUGHBJJKOW-UHFFFAOYSA-N PubChem CID: 13052275 IUPAC Name: methyl 2-amino-5-methoxybenzoate SMILES: COC(=O)C1=C(N)C=CC(OC)=C1
3-Bromobenzophenone, 97%
CAS: 1016-77-9 Molecular Formula: C13H9BrO Molecular Weight (g/mol): 261.118 MDL Number: MFCD00672015 InChI Key: XNUMUNIJQMSNNN-UHFFFAOYSA-N Synonym: 3-bromobenzophenone,3-bromophenyl phenyl methanone,methanone, 3-bromophenyl phenyl,m-bromobenzophenone,3-bromophenyl phenylmethanone,3-bromophenyl-phenyl-methanone,3-bromophenyl phenyl ketone,bromobenzophenone,m,3-bromobenzoylbenzene,acmc-20an8e PubChem CID: 70548 IUPAC Name: (3-bromophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
4-Carboxy-3-fluorobenzeneboronic acid, 98%
CAS: 120153-08-4 Molecular Formula: C7H6BFO4 Molecular Weight (g/mol): 183.929 MDL Number: MFCD01114671 InChI Key: CZDWJVSOQOMYGC-UHFFFAOYSA-N Synonym: 4-carboxy-3-fluorophenylboronic acid,4-carboxy-3-fluorobenzeneboronic acid,4-dihydroxyboranyl-2-fluorobenzoic acid,4-carboxy-3-fluorophenyl boronic acid,benzoic acid, 4-borono-2-fluoro,3-fluoro-4-carboxyphenylboronic acid,pubchem5148,acmc-209a6f,benzoic acid,4-borono-2-fluoro,3-fluoro-4-carboxy-phenylboronic acid PubChem CID: 2763201 IUPAC Name: 4-borono-2-fluorobenzoic acid SMILES: B(C1=CC(=C(C=C1)C(=O)O)F)(O)O
Triphenyl borate, 97%
CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
2-Amino-5-bromobenzonitrile, 96%
CAS: 39263-32-6 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.04 MDL Number: MFCD00158946 InChI Key: OATYCBHROMXWJO-UHFFFAOYSA-N Synonym: 4-bromo-2-cyanoaniline,2-amino-5-brombenzonitrile,2-amio-5-bromobenzonitrile,5-bromoanthranilonitrile,2-amino-5-bromobenzenecarbonitrile,2-amino-5-bromo-benzonitrile,benzonitrile, 2-amino-5-bromo,2-bromo-5-cyanoaniline,pubchem4602,2-cyano-4-bromoaniline PubChem CID: 429740 IUPAC Name: 2-amino-5-bromobenzonitrile SMILES: NC1=CC=C(Br)C=C1C#N
Phenyl methanesulfonate, 98%
CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1
Methyl 3-(2-bromophenyl)propionate, 98%
CAS: 66191-86-4 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD09953149 InChI Key: NIULOVGPRAJIJM-UHFFFAOYSA-N Synonym: methyl 3-2-bromophenyl propanoate,methyl 3-2-bromophenyl propionate,benzenepropanoic acid, 2-bromo-, methyl ester,3-2-bromo-phenyl-propionic acid methyl ester,3-2-bromophenyl propanoic acid,methyl ester,ksc495a4p,2-bromohydrocinnamic acid methyl ester,3-2-bromophenyl propanoic acid methyl ester,3-2-bromophenyl propionic acid methyl ester PubChem CID: 15712815 IUPAC Name: methyl 3-(2-bromophenyl)propanoate SMILES: COC(=O)CCC1=CC=CC=C1Br
4-Fluoro-3-nitroanisole, 95%
CAS: 61324-93-4 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.127 MDL Number: MFCD11848442 InChI Key: ZRIKJXDEJYMBEJ-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,# PubChem CID: 565653 IUPAC Name: 1-fluoro-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)F)[N+](=O)[O-]
Methyl 4-amino-3-nitrobenzoate, 97%
CAS: 3987-92-6 Molecular Formula: C8H8N2O4 Molecular Weight (g/mol): 196.162 MDL Number: MFCD00017562 InChI Key: HNTLUEZVPLRQEV-UHFFFAOYSA-N Synonym: methyl 4-amino-3-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-nitro-, methyl ester,4-amino-3-nitro-benzoic acid methyl ester,4-methoxycarbonyl-2-nitroaniline,4-amino-3-nitromethylbenzoate,methyl 3-nitro-4-aminobenzoate,2-amino-5-methoxycarbonyl nitrobenzene,3-nitro-4-aminobenzoic acid methyl ester,4-amino-3-nitrobenzoicacidmethylester,acmc-209j8j PubChem CID: 3941008 IUPAC Name: methyl 4-amino-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]
3-(2-Bromophenyl)-1H-pyrazole, 97%
CAS: 114382-20-6 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.073 MDL Number: MFCD01940435 InChI Key: VDHTYVJAQNZWTD-UHFFFAOYSA-N Synonym: 3-2-bromophenyl-1h-pyrazole,3-2-bromophenyl pyrazole,5-2-bromophenyl-1h-pyrazole,1h-pyrazole,3-2-bromophenyl,3-2-bromo-phenyl-1h-pyrazole,3-2-bromophenyl-2h-pyrazole,3-o-bromophenylpyrazole,acmc-1c4z7 PubChem CID: 2735612 IUPAC Name: 5-(2-bromophenyl)-1H-pyrazole SMILES: C1=CC=C(C(=C1)C2=CC=NN2)Br
Dimethyl 5-bromoisophthalate, 98%
CAS: 51760-21-5 Molecular Formula: C10H9BrO4 Molecular Weight (g/mol): 273.082 MDL Number: MFCD00078709 InChI Key: QUJINGKSNJNXEB-UHFFFAOYSA-N Synonym: dimethyl 5-bromoisophthalate,5-bromoisophthalic acid dimethyl ester,dimethyl-5-bromoisophthalate,1,3-benzenedicarboxylic acid, 5-bromo-, dimethyl ester,1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate,dimethyl5-bromoisophthalate,5-bromo-isophthalic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester,methyl 5-bromo-3-methoxycarbonyl benzoate,5-bromoisophthalic acid, dimethyl ester PubChem CID: 103954 IUPAC Name: dimethyl 5-bromobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC