Benzene and substituted derivatives
3,4-Difluorobenzylzinc bromide, 0.5M in THF, packaged under Argon in resealable ChemSeal™ bottles
CAS: 307496-34-0 Molecular Formula: C7H5BrF2Zn Molecular Weight (g/mol): 272.398 MDL Number: MFCD01311420 InChI Key: NXKQWSPHMLPJIC-UHFFFAOYSA-M Synonym: zinc 2+ ion 3,4-difluorophenyl methanide bromide PubChem CID: 57371133 SMILES: [CH2-]C1=CC(=C(C=C1)F)F.[Zn+2].[Br-]
2-Amino-4-bromobenzoic acid, 97%
CAS: 20776-50-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD03618454 InChI Key: BNNICQAVXPXQAH-UHFFFAOYSA-N Synonym: 4-bromoanthranilic acid,benzoic acid, 2-amino-4-bromo,5-bromo-2-carboxyaniline,2-amino-4-bromo-benzoic acid,2-amino-4-brombenzoic acid,zlchem 336,pubchem13462,acmc-1cb3t,ksc207e6b,pharmabridge p-1344 PubChem CID: 88691 IUPAC Name: 2-amino-4-bromobenzoic acid SMILES: C1=CC(=C(C=C1Br)N)C(=O)O
5-Carbamoyl-2-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific™
CAS: 1412905-42-0 Molecular Formula: C13H17BFNO3 Molecular Weight (g/mol): 265.09 MDL Number: MFCD18730404 InChI Key: RBEAFMIZDXOHAT-UHFFFAOYSA-N Synonym: 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzamide,5-carbamoyl-2-fluorobenzeneboronic acid pinacol ester PubChem CID: 99738340 IUPAC Name: 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C=CC(=C1)C(N)=O
(1-Ethoxycarbonylcyclopropyl)triphenylphosphonium tetrafluoroborate, 98%
CAS: 52186-89-7 Molecular Formula: C24H24BF4O2P Molecular Weight (g/mol): 462.23 MDL Number: MFCD00051879 InChI Key: RGJYRMUGSAFITK-UHFFFAOYSA-N Synonym: 1-carbethoxycyclopropyltriphenylphosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl triphenylphosphonium tetrafluoroborate,1-ethoxycarbonylcyclopropyl triphenylphosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl tris phenyl phosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl triphenylphosphanium tetrafluoroborate,acmc-20aowe,1-carboethoxycyclopropyl triphenylphosphonium tetrafluoroborate,1-carbethoxycyclopropyl tris phenyl phosphonium tetrafluoroborate,1-ethoxycarbonylcyclopropyl-triphenyl-phosphanium tetrafluoroborate,1-ethoxycarbonylcyclopropyl-triphenyl-phosphonium tetrafluoroborate PubChem CID: 11016017 SMILES: F[B-](F)(F)F.CCOC(=O)C1(CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
2,4-Difluorophenylacetic acid, 99%
CAS: 81228-09-3 Molecular Formula: C8H5F2O2 Molecular Weight (g/mol): 171.12 MDL Number: MFCD00009999 InChI Key: QPKZIGHNRLZBCL-UHFFFAOYSA-M Synonym: 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid PubChem CID: 123581 IUPAC Name: 2-(2,4-difluorophenyl)acetic acid SMILES: [O-]C(=O)CC1=CC=C(F)C=C1F
Methyl 3-chlorobenzoate, 98%
CAS: 2905-65-9 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00000592 InChI Key: XRDRKVPNHIWTBX-UHFFFAOYSA-N Synonym: methyl m-chlorobenzoate,benzoic acid, 3-chloro-, methyl ester,m-chlorobenzoic acid methyl ester,methyl-3-chlorobenzoate,benzoic acid, m-chloro-, methyl ester,3-chlorobenzoic acid methyl ester,3-chloro-benzoic acid methyl ester,acmc-1cegg,dsstox_cid_7507,3-chlorobenzoic acid methyl PubChem CID: 17946 IUPAC Name: methyl 3-chlorobenzoate SMILES: COC(=O)C1=CC=CC(Cl)=C1
2-Amino-5-fluorobenzoic acid, 97%
CAS: 446-08-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00055566 InChI Key: FPQMGQZTBWIHDN-UHFFFAOYSA-N Synonym: 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo PubChem CID: 101412 ChEBI: CHEBI:78042 IUPAC Name: 2-amino-5-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)N
3-Nitrobenzylamine hydrochloride, 97%
CAS: 26177-43-5 Molecular Formula: C7H9ClN2O2 Molecular Weight (g/mol): 188.611 MDL Number: MFCD00012858 InChI Key: DLZXLCHQWOZGSE-UHFFFAOYSA-N Synonym: 3-nitrobenzylamine hydrochloride,3-nitrophenyl methanamine hydrochloride,3-nitrobenzylamine hcl,3-nitrobenzylammonium hydrochloride,benzenemethanamine, 3-nitro-, monohydrochloride,1-3-nitrophenyl methanamine hydrochloride,pubchem7485,chembl13978,m-nitrobenzylamine hydrochloride,3-nitrobenzyl amine hydrochloride PubChem CID: 2724030 IUPAC Name: (3-nitrophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl
1-Fluoro-3,5-dimethoxybenzene, 98%
CAS: 52189-63-6 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.16 MDL Number: MFCD00012445 InChI Key: IWFKMNAEFPEIOY-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-5-fluorobenzene,benzene, 1-fluoro-3,5-dimethoxy,3,5-dimethoxyfluorobenzene,pubchem3049,acmc-209wz0,3,5-dimethoxy fluorobenzene,ksc595k6b,3,5-dimethoxy-1-fluorobenzene,1-fluoro-3,5-dimethoxy benzene,benzene,1-fluoro-3,5-dimethoxy PubChem CID: 2774257 IUPAC Name: 1-fluoro-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(F)=C1
4-n-Propylphenylacetylene, 97%
CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C
3-Fluorobenzylamine, 96%
CAS: 100-82-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD00008113 InChI Key: QVSVMNXRLWSNGS-UHFFFAOYSA-N Synonym: 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine PubChem CID: 66853 IUPAC Name: (3-fluorophenyl)methanamine SMILES: C1=CC(=CC(=C1)F)CN
1-Acetyl-4-fluoronaphthalene, 97%
CAS: 316-68-7 Molecular Formula: C12H9FO Molecular Weight (g/mol): 188.201 MDL Number: MFCD00134475 InChI Key: GAMOBQXCYKWQLT-UHFFFAOYSA-N Synonym: 1-4-fluoronaphthalen-1-yl ethanone,1-acetyl-4-fluoronaphthalene,1-4-fluoro-1-naphthyl ethanone,4-fluoro-1-acetonaphthone,ethanone, 1-4-fluoro-1-naphthalenyl,1-4-fluoro-1-naphthyl ethan-1-one,4'-fluoro-1'-acetonaphthone,1-4-fluoronaphthalen-1-yl ethan-1-one,4-fluoroacetonaphthone,4'-fluoro-1'acetonaphthone PubChem CID: 67568 IUPAC Name: 1-(4-fluoronaphthalen-1-yl)ethanone SMILES: CC(=O)C1=CC=C(C2=CC=CC=C21)F
3-Fluoro-2-methylbenzeneboronic acid, 98%, Thermo Scientific Chemicals
CAS: 163517-61-1 Molecular Formula: C7H8BFO2 Molecular Weight (g/mol): 153.947 MDL Number: MFCD07368679 InChI Key: NYBIUWJUWTUGFV-UHFFFAOYSA-N Synonym: 3-fluoro-2-methylphenyl boronic acid,2-methyl-3-fluoro-phenylboronic acid,3-fluoro-2-methylbenzeneboronic acid,3-fluoro-o-tolylboronic acid,boronic acid, 3-fluoro-2-methylphenyl,boronic acid,b-3-fluoro-2-methylphenyl,3-fluoro-2-methyl-phenyl boronic acid,2-borono-6-fluorotoluene,acmc-1c5qk,2-methyl-3-fluorophenylboronic acid PubChem CID: 2783191 IUPAC Name: (3-fluoro-2-methylphenyl)boronic acid SMILES: B(C1=C(C(=CC=C1)F)C)(O)O
3,5-Di-tert-butylcatechol, 99%
CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
3,5-Dimethoxybenzylamine, 98%
CAS: 34967-24-3 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052813 InChI Key: YGZJTYCCONJJGZ-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzylamine,3,5-dimethoxybenzyl amine,3,5-dimethoxyphenyl methanamine,1-3,5-dimethoxyphenyl methanamine,3,5-dimethoxy benzyl amine,3,5-dimethoxyphenyl methylamine,benzenemethanamine, 3,5-dimethoxy,pubchem7393,3,5-dimethoxy benzylamine,3,5-dimethoxy-benzylamine PubChem CID: 420973 IUPAC Name: (3,5-dimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1)CN)OC