Halobenzoic acids and derivatives

Alfa Aesar™ 4-Bromobenzoic acid, 98+%

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid, benzoic acid, 4-bromo, p-carboxybromobenzene, benzoic acid, p-bromo, p-bromobenzenecarboxylic acid, 4-bromo-benzoic acid, 4-brom-benzoesaeure, 4-carboxybromobenzene, para bromo benzoic acid, 4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

3-Bromo-2,6-dimethoxybenzoic acid, ≥97%, Maybridge™

CAS: 73219-89-3 Molecular Formula: C9H9BrO4 Molecular Weight (g/mol): 261.071 MDL Number: MFCD00052933 InChI Key: CUQANLQRQJHIQE-UHFFFAOYSA-N Synonym: maybridge1_001596, acmc-1bfe7, 2,6-dimethoxy-3-bromobenzoic acid, benzoic acid,3-bromo-2,6-dimethoxy, benzoic acid, 3-bromo-2,6-dimethoxy PubChem CID: 2774744 IUPAC Name: 3-bromo-2,6-dimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)Br)OC)C(=O)O

Alfa Aesar™ 3,5-Dibromobenzamide, 97%

CAS: 175205-85-3 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 MDL Number: MFCD00178771 InChI Key: IOFGMNBDIDEBIQ-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzoic acid amide, acmc-20andi, 3,5-dibromo-benzamide, maybridge1_007750, 3,5-bis bromanyl benzamide, 3,5-dibromobenzamide PubChem CID: 2735937 IUPAC Name: 3,5-dibromobenzamide SMILES: C1=C(C=C(C=C1Br)Br)C(=O)N

Alfa Aesar™ 5-Chloro-2-(ethoxycarbonyl)benzeneboronic acid, 98%

CAS: 871329-55-4 Molecular Formula: C9H10BClO4 Molecular Weight (g/mol): 228.435 MDL Number: MFCD07363744 InChI Key: SGPMCOBGNHZGJJ-UHFFFAOYSA-N Synonym: 5-chloro-2-ethoxycarbonyl phenylboronic acid, 5-chloro-2-ethoxycarbonyl phenyl boronic acid, 5-chloro-2-ethoxycarbonyl benzeneboronic acid, benzoic acid,2-borono-4-chloro-, 1-ethyl ester 9ci, ethyl 2-borono-4-chlorobenzoate, acmc-209qg0, 5-chloro-2-ethoxycarbonylphenyl boronic acid, 5-chloranyl-2-ethoxycarbonyl-phenyl boronic acid PubChem CID: 44784921 IUPAC Name: (5-chloro-2-ethoxycarbonylphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)Cl)C(=O)OCC)(O)O

Alfa Aesar™ 2-Fluoro-4-(4-fluoro-2-nitrophenylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449144-94-8 Molecular Formula: C13H9BF2N2O5 Molecular Weight (g/mol): 322.031 MDL Number: MFCD20040308 InChI Key: JSRCTYHYPFPKJW-UHFFFAOYSA-N Synonym: 2-fluoro-4-4-fluoro-2-nitrophenylcarbamoyl benzeneboronic acid, 2-fluoro-4-4-fluoro-2-nitrophenyl carbamoyl phenylboronic acid PubChem CID: 73996130 IUPAC Name: [2-fluoro-4-[(4-fluoro-2-nitrophenyl)carbamoyl]phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])F)(O)O

Alfa Aesar™ 1-(2-Fluorobenzoyl)pyrrolidine, 97%

CAS: 347909-09-5 Molecular Formula: C11H12FNO Molecular Weight (g/mol): 193.221 MDL Number: MFCD00460952 InChI Key: AZBXHPRYPHBYCV-UHFFFAOYSA-N Synonym: 1-2-fluorobenzoyl pyrrolidine, 2-fluorophenyl 1-pyrrolidinyl methanone, 2-fluorophenyl-pyrrolidin-1-ylmethanone PubChem CID: 3497148 IUPAC Name: (2-fluorophenyl)-pyrrolidin-1-ylmethanone SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2F

2-Iodosobenzoic acid, 98%, ACROS Organics™

CAS: 304-91-6 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.02 InChI Key: IFPHDUVGLXEIOQ-UHFFFAOYSA-N Synonym: 2-iodosobenzoic acid, o-iodosobenzoic acid, o-iodosylbenzoic acid, o-iodosobenzoate, benzoic acid, 2-iodosyl, benzoic acid, o-iodoso, 2-iodosyl benzoate, benzoic acid, iodosyl, ortho-iodosylbenzoic acid, 3h-1,2-benziodoxol-1-ium, 3-oxo-, hydroxide PubChem CID: 67537 ChEBI: CHEBI:52698 IUPAC Name: 2-iodosylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I=O

Alfa Aesar™ Ethyl 4-bromobenzoate, 98+%

CAS: 5798-75-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00016329 InChI Key: XZIAFENWXIQIKR-UHFFFAOYSA-N Synonym: 4-bromobenzoic acid ethyl ester, ethyl p-bromobenzoate, benzoic acid, 4-bromo-, ethyl ester, ethyl4-bromobenzoate, ethyl-4-bromobenzoate, p-ethoxycarbonyl phenyl bromide, benzoic acid, p-bromo-, ethyl ester, 4-bromo-benzoic acid ethyl ester, 4-bromobenzoic acid, ethyl ester, ethyl-p-bromobenzoate PubChem CID: 22043 IUPAC Name: ethyl 4-bromobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)Br

Alfa Aesar™ Methyl 3-amino-5-fluorobenzoate, 98%

CAS: 884497-46-5 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD05863683 InChI Key: YKEJVXMOMKWEPV-UHFFFAOYSA-N Synonym: methyl3-amino-5-fluorobenzoate, methyl 5-amino-3-fluorobenzoate, 5-amino-3-fluorobenzoic acid methyl ester, 3-amino-5-fluoro-benzoic acid methyl ester PubChem CID: 3807862 IUPAC Name: methyl 3-amino-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)F)N

Alfa Aesar™ 3-Bromo-5-iodobenzoic acid, 97%

CAS: 188815-32-9 Molecular Formula: C7H4BrIO2 Molecular Weight (g/mol): 326.915 MDL Number: MFCD00191851 InChI Key: MKJBJYCBKXPQSY-UHFFFAOYSA-N Synonym: 5-bromo-3-iodobenzoic acid, 3-bromo-5-iodo-benzoic acid, 3-bromo-5-iodobenzoicacid, benzoic acid, 3-bromo-5-iodo, 3-iodo-5-bromobenzoic acid, pubchem3788, acmc-209erv, 3-bromo-5-iodobenzoic aicd, 3-bromo-5-iodo benzoic acid, 5-iodo-3-bromo-benzoic acid PubChem CID: 5182520 IUPAC Name: 3-bromo-5-iodobenzoic acid SMILES: C1=C(C=C(C=C1Br)I)C(=O)O

Alfa Aesar™ 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride, 97%

CAS: 151096-42-3 Molecular Formula: C7BrClF4O Molecular Weight (g/mol): 291.424 MDL Number: MFCD03001174 InChI Key: FLVURBOAHUGHCH-UHFFFAOYSA-N Synonym: benzoyl chloride,2-bromo-3,4,5,6-tetrafluoro, 2-bromo-3,4,5,6-tetrafluorobenzoylchloride, acmc-1c3i6, 2-bromo-3,4,5,6-tetrafluoro-benzoyl chloride, 2-bromanyl-3,4,5,6-tetrakis fluoranyl benzoyl chloride PubChem CID: 2783243 IUPAC Name: 2-bromo-3,4,5,6-tetrafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1Br)F)F)F)F)C(=O)Cl

Alfa Aesar™ 4-Carboxy-3-chlorobenzeneboronic acid, 97%

CAS: 136496-72-5 Molecular Formula: C7H6BClO4 Molecular Weight (g/mol): 200.381 MDL Number: MFCD06656268 InChI Key: QFAFGWXQNDYXPZ-UHFFFAOYSA-N Synonym: 4-carboxy-3-chlorophenylboronic acid, 3-chloro-4-carboxyphenylboronic acid, 4-carboxy-3-chlorobenzeneboronic acid, 2-chloro-4-dihydroxyboranyl benzoic acid, 4-carboxy-3-chlorobenzeneboronicacid, pubchem5134, 4-carboxy-3, akos brn-0544, acmc-1cuk9, ksc174k1d PubChem CID: 14903223 IUPAC Name: 4-borono-2-chlorobenzoic acid SMILES: B(C1=CC(=C(C=C1)C(=O)O)Cl)(O)O

Alfa Aesar™ 2-Chloro-4-fluorobenzoyl chloride, 97%

CAS: 21900-54-9 Molecular Formula: C7H3Cl2FO Molecular Weight (g/mol): 192.998 MDL Number: MFCD00084954 InChI Key: POIAZJJVWRVLBO-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzoylchloride, 2-chloro-4-fluoro-benzoyl chloride, 2-chloro-4-fluorobenzene-1-carbonyl chloride, benzoyl chloride, 2-chloro-4-fluoro, benzoyl chloride,2-chloro-4-fluoro, acmc-20anzq, ksc547s3d, 2-chlor-4-fluorbenzoylchlorid, 2chloro-4-fluorobenzoyl chloride, 4-fluoro-2-chlorobenzoyl chloride PubChem CID: 2736546 IUPAC Name: 2-chloro-4-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1F)Cl)C(=O)Cl

Alfa Aesar™ 2-Bromo-5-chlorobenzoic acid, 98+%

CAS: 21739-93-5 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00013982 InChI Key: RBCPJQQJBAQSOU-UHFFFAOYSA-N Synonym: 6-bromo-3-chlorobenzoic acid, benzoic acid, 2-bromo-5-chloro, 2-bromo-5-chloro-benzoic acid, 5-chloro-2-bromobenzoic acid, pubchem3584, acmc-1co7w, 2-bromo-5-chlorobenzoicacid, ksc204k2j, benzoicacid, 2-bromo-5-chloro, zerenex e/9071908 PubChem CID: 89027 IUPAC Name: 2-bromo-5-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)C(=O)O)Br

Alfa Aesar™ 2,3,5-Triiodobenzoic acid, 98+%

CAS: 88-82-4 Molecular Formula: C7H3I3O2 Molecular Weight (g/mol): 499.812 MDL Number: MFCD00002420 InChI Key: ZMZGFLUUZLELNE-UHFFFAOYSA-N Synonym: floraltone, tiba, triiodobenzoic acid, johnkolor, benzoic acid, 2,3,5-triiodo, 2,3,5-tiba, caswell no. 890a, triiodobenzoic acid van, regin 8, kyselina 2,3,5-trijodbenzoova PubChem CID: 6948 ChEBI: CHEBI:73175 IUPAC Name: 2,3,5-triiodobenzoic acid SMILES: C1=C(C=C(C(=C1I)I)C(=O)O)I

Alfa Aesar™ 4-Ethoxycarbonyl-3-fluorobenzeneboronic acid, 95%

CAS: 874288-38-7 Molecular Formula: C9H10BFO4 Molecular Weight (g/mol): 211.983 MDL Number: MFCD06656274 InChI Key: CXSPPZZTTSHTMP-UHFFFAOYSA-N Synonym: 4-ethoxycarbonyl-3-fluorophenylboronic acid, 4-ethoxycarbonyl-3-fluorobenzeneboronic acid, ethyl 4-borono-2-fluorobenzoate, 4-ethoxycarbonyl-3-fluorophenyl boronic acid, 4-ethoxycarbonyl-3-fluoro-phenyl boronic acid, 4-ethoxycarbonyl-3-fluorophenylboronicacid, 3-fluoro-4-ethoxycarbonylphenylboronic acid, 4-borono-2-fluoro-benzoic acid, 1-ethyl ester, benzoic acid, 4-borono-2-fluoro-, 1-ethyl ester, acmc-209qm0 PubChem CID: 2763245 IUPAC Name: (4-ethoxycarbonyl-3-fluorophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)OCC)F)(O)O

4-Fluoro-2-methylbenzoic acid, 99%, ACROS Organics™

CAS: 321-21-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD04115880 InChI Key: KDXOONIQRUZGSY-UHFFFAOYSA-N Synonym: 4-fluoro-o-toluic acid, 2-methyl-4-fluorobenzoic acid, 4-fluoro-2-methylbenzoicacid, 4-fluoro-2-methyl-benzoic acid, benzoic acid, 4-fluoro-2-methyl, pubchem1327, 2-carboxy-5-fluorotoluene, acmc-209hr6, 4-fluoro-2-methyl benzoicacid, rarechem al be 0506 PubChem CID: 3860639 IUPAC Name: 4-fluoro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)F)C(=O)O

Alfa Aesar™ 3,4,5-Trifluorobenzoyl chloride, 97%

CAS: 177787-26-7 Molecular Formula: C7H2ClF3O Molecular Weight (g/mol): 194.537 MDL Number: MFCD00083526 InChI Key: YRUNCQNKZIQTEO-UHFFFAOYSA-N Synonym: 3,4,5-trifluorobenzoylchloride, benzoyl chloride,3,4,5-trifluoro, acmc-20ange, pubchem20778, 3,4,5-trifluorobenzoic acid chloride, 3,4,5-tris fluoranyl benzoyl chloride, 3,4,5-trifluorobenzoyl chloride, benzoyl chloride, 3,4,5-trifluoro-9ci PubChem CID: 2777023 IUPAC Name: 3,4,5-trifluorobenzoyl chloride SMILES: C1=C(C=C(C(=C1F)F)F)C(=O)Cl

Alfa Aesar™ 3,4-Difluoro-5-methylbenzoic acid, 97%

CAS: 1017778-60-7 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD09832332 InChI Key: RNAYJQUWVKDTJZ-UHFFFAOYSA-N Synonym: 3,4-difluoro-5-methylbenzoic acid, jrd PubChem CID: 20112149 IUPAC Name: 3,4-difluoro-5-methylbenzoic acid SMILES: CC1=C(C(=CC(=C1)C(=O)O)F)F

Alfa Aesar™ 2-Bromo-6-chlorobenzoic acid, 98%

CAS: 93224-85-2 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00672929 InChI Key: URGXUQODOUMRFP-UHFFFAOYSA-N Synonym: 6-bromo-2-chlorobenzoic acid, 2-chloro-6-bromobenzoic acid, benzoic acid, 2-bromo-6-chloro, 2-bromo-6-chloro-benzoic acid, buttpark 51\01-28, akos msc-0781, 2-bromo-6-chlorobenzoicacid, pubchem4048, acmc-209rkm, 2-chloro-6-bromobenzoic PubChem CID: 33125 IUPAC Name: 2-bromo-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)Cl

Alfa Aesar™ 3,5-Dichlorobenzoyl chloride, 96%

CAS: 2905-62-6 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00009817 InChI Key: GGHLXLVPNZMBQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 3,5-dichloro, 3,5-dichlorobenzoylchloride, dichlorobenzoylchloride 3,5-, pubchem10805, dsstox_cid_7506, acmc-209h6l, dsstox_rid_78478, dsstox_gsid_27506, ksc204k6p, 3,5-dichloro benzoyl chloride PubChem CID: 76191 IUPAC Name: 3,5-dichlorobenzoyl chloride SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)Cl

Alfa Aesar™ 3-Fluoro-2-methoxybenzoyl chloride, 97%

CAS: 106428-06-2 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.582 MDL Number: MFCD09025367 InChI Key: WJLYPIGIRQBXFF-UHFFFAOYSA-N Synonym: benzoyl chloride, 3-fluoro-2-methoxy, 3-fluoro-2-methoxybenzenesulphonyl chloride PubChem CID: 19862633 IUPAC Name: 3-fluoro-2-methoxybenzoyl chloride SMILES: COC1=C(C=CC=C1F)C(=O)Cl

3,4-Difluoro-2-methylbenzoic acid, 97+%, Alfa Aesar™

CAS: 157652-31-8 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD07777153 InChI Key: AGUUCAUQWFAFPR-UHFFFAOYSA-N Synonym: 3,4-difluoro-2-methylbenzoicacid, 3,4-difluoro-2-methyl-benzoic acid, 3,4-difluoro-o-toluic acid, benzoic acid, 3,4-difluoro-2-methyl, pubchem8240, benzoic acid,3,4-difluoro-2-methyl PubChem CID: 12137678 IUPAC Name: 3,4-difluoro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1F)F)C(=O)O

Alfa Aesar™ Methyl 4-bromo-3-methylbenzoate, 97%

CAS: 148547-19-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00673014 InChI Key: GTZTYNPAPQKIIR-UHFFFAOYSA-N Synonym: 4-bromo-3-methylbenzoic acid methyl ester, methyl4-bromo-3-methylbenzoate, methyl 4-bromo-m-toluate, 4-bromo-3-methyl-benzoic acid methyl ester, methyl 4-bromo-3-methyl-benzoate, 4-bromo-m-toluic acid methyl ester, benzoic acid, 4-bromo-3-methyl-, methyl ester, 2-bromo-5-methoxycarbonyl toluene, 3-methyl-4-bromobenzoic acid methyl ester, pubchem3970 PubChem CID: 3294148 IUPAC Name: methyl 4-bromo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br

Alfa Aesar™ 2-Bromo-5-methoxybenzamide, 98%

CAS: 99848-43-8 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.061 MDL Number: MFCD00208336 InChI Key: CMTKLJYDFPAPJS-UHFFFAOYSA-N Synonym: 29;bromo-5-methoxybenzamide PubChem CID: 2728705 IUPAC Name: 2-bromo-5-methoxybenzamide SMILES: COC1=CC(=C(C=C1)Br)C(=O)N

Alfa Aesar™ Ethyl 2-amino-5-iodobenzoate, 98+%

CAS: 268568-11-2 Molecular Formula: C9H10INO2 Molecular Weight (g/mol): 291.088 MDL Number: MFCD04038940 InChI Key: FPCLHSGOJPEKKE-UHFFFAOYSA-N Synonym: ethyl2-amino-5-iodobenzoate, 2-amino-5-iodobenzoic acid ethyl ester, 2-amino-5-iodo-benzoic acid ethyl ester, acmc-1cksm, ethyl 2-amino-5-iodo-benzoate, ethyl 5-iodoanthranilate PubChem CID: 12012179 IUPAC Name: ethyl 2-amino-5-iodobenzoate SMILES: CCOC(=O)C1=C(C=CC(=C1)I)N

4-Bromo-2-fluorobenzoyl chloride, 99%, ACROS Organics™

CAS: 151982-51-3 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.46 MDL Number: MFCD03411584 InChI Key: PCFIABOQFAFDAU-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzoyl chloride, benzoyl chloride, 4-bromo-2-fluoro, benzoyl chloride,4-bromo-2-fluoro, acmc-20amnm, 4-bromo-2-fluorobenzoylchloride, 4-bromo-2-fluoro-benzoyl chloride, 4-bromo-2-fluorobenzoic acid chloride, 4-bromanyl-2-fluoranyl-benzoyl chloride PubChem CID: 2734026 IUPAC Name: 4-bromo-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Br)F)C(=O)Cl

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