Halobenzoic acids and derivatives

2-Chlorobenzoic acid, 98%, Acros Organics

CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: 2-cba PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

4-Bromobenzoic Acid 98.0+%, TCI America™

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

4-Bromo-2-fluorobenzoic Acid 99.0+%, TCI America™

CAS: 112704-79-7 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00143263 InChI Key: ZQQSRVPOAHYHEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzoic acid PubChem CID: 302681 IUPAC Name: 4-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1Br)F)C(=O)O

Alfa Aesar™ 2-Fluorobenzoic acid, 98+%

CAS: 445-29-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00002405 InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N Synonym: 2-fluoro-benzoic acid PubChem CID: 9935 ChEBI: CHEBI:19577 IUPAC Name: 2-fluorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)F

4-Fluorobenzoic acid, 99%, ACROS Organics™

CAS: 456-22-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: 4-fluoro-benzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F

4-Bromo-2-methylbenzoic acid, 97%, Acros Organics™

CAS: 68837-59-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N Synonym: 2-methyl-4-bromobenzoic acid PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O

Alfa Aesar™ 4-Bromo-2-fluorobenzoic acid, 98%

CAS: 112704-79-7 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00143263 InChI Key: ZQQSRVPOAHYHEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzoic acid PubChem CID: 302681 IUPAC Name: 4-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1Br)F)C(=O)O

Alfa Aesar™ 2,6-Difluorobenzoic acid, 98+%

CAS: 385-00-2 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00002411 InChI Key: ONOTYLMNTZNAQZ-UHFFFAOYSA-N Synonym: 2,6,-difluorobenzoic acid PubChem CID: 9796 IUPAC Name: 2,6-difluorobenzoic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)F

Alfa Aesar™ 2-Chlorobenzoyl chloride, 97%

CAS: 609-65-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00000660 InChI Key: ONIKNECPXCLUHT-UHFFFAOYSA-N Synonym: 2-chloro-benzoyl chloride PubChem CID: 69110 ChEBI: CHEBI:60719 IUPAC Name: 2-chlorobenzoyl chloride SMILES: C1=CC=C(C(=C1)C(=O)Cl)Cl

2-Bromo-4-methylbenzoic acid, 98%, Acros Organics™

CAS: 7697-27-0 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 InChI Key: ZZYYOHPHSYCHQG-UHFFFAOYSA-N Synonym: 2-bromo-4-methyl benzoic acid PubChem CID: 226292 IUPAC Name: 2-bromo-4-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)Br

Alfa Aesar™ 4-Difluoromethoxy-2-fluorobenzoic acid, 97%

CAS: 1214347-60-0 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD09832367 InChI Key: RCPCZEHIEZGLER-UHFFFAOYSA-N PubChem CID: 46311650 IUPAC Name: 2-(difluoromethoxy)-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)OC(F)F)C(=O)O

2,6-Dibromobenzoic acid, 95%, Acros Organics™

CAS: 601-84-3 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 InChI Key: HQLOEBRPCVIFCT-UHFFFAOYSA-N Synonym: 2,6-bis bromanyl benzoic acid PubChem CID: 4400143 IUPAC Name: 2,6-dibromobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)Br

Alfa Aesar™ Ethyl 3-bromobenzoate, 98+%

CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013529 InChI Key: QAUASTLEZAPQTB-UHFFFAOYSA-N Synonym: 3-bromobenzoic acid ethyl ester PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br

4-Fluorobenzoyl Chloride 97.0+%, TCI America™

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: 4-fluorobenzoic acid chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

Alfa Aesar™ 5-Fluoro-2-(methoxycarbonyl)benzeneboronic acid, 97%

CAS: 850568-05-7 Molecular Formula: C8H8BFO4 Molecular Weight (g/mol): 197.956 MDL Number: MFCD03095367 InChI Key: CHDCMVDJRAQCTJ-UHFFFAOYSA-N Synonym: 2-methoxycarbonyl-5-fluorophenylboronic acid PubChem CID: 4374269 IUPAC Name: (5-fluoro-2-methoxycarbonylphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)F)C(=O)OC)(O)O

Alfa Aesar™ 3-Bromobenzoyl chloride, 98%

CAS: 1711-09-7 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00000669 InChI Key: PBOOZQFGWNZNQE-UHFFFAOYSA-N Synonym: 3-brom-benzoylchlorid PubChem CID: 74377 IUPAC Name: 3-bromobenzoyl chloride SMILES: C1=CC(=CC(=C1)Br)C(=O)Cl

4-Cyano-3-fluorobenzoic Acid 97.0+%, TCI America™

CAS: 176508-81-9 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 MDL Number: MFCD03094324 InChI Key: ZWKNDLMYSLLMRF-UHFFFAOYSA-N PubChem CID: 2778468 IUPAC Name: 4-cyano-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)C#N

Alfa Aesar™ Methyl 3-chloro-4-methylbenzoate, 95%

CAS: 56525-63-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00205141 InChI Key: KTFQDZCNPGFKAH-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxycarbonyl toluene PubChem CID: 2801405 IUPAC Name: methyl 3-chloro-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)Cl

Alfa Aesar™ N-Cyclohexyl-4-fluorobenzamide, 97%

CAS: 2342-50-9 Molecular Formula: C13H16FNO Molecular Weight (g/mol): 221.275 MDL Number: MFCD00544070 InChI Key: STPFPZKUYANAOR-UHFFFAOYSA-N Synonym: benzamide, n-cyclohexyl-4-fluoro PubChem CID: 2305489 IUPAC Name: N-cyclohexyl-4-fluorobenzamide SMILES: C1CCC(CC1)NC(=O)C2=CC=C(C=C2)F

2,3-Difluorobenzoic Acid 98.0+%, TCI America™

CAS: 4519-39-5 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00010267 InChI Key: JLZVIWSFUPLSOR-UHFFFAOYSA-N Synonym: 2,3 difluorobenzoic acid PubChem CID: 370590 IUPAC Name: 2,3-difluorobenzoic acid SMILES: C1=CC(=C(C(=C1)F)F)C(=O)O

Alfa Aesar™ 2-Chloro-N-(2,6-dichlorophenyl)benzamide, 97%

CAS: 200807-45-0 Molecular Formula: C13H8Cl3NO Molecular Weight (g/mol): 300.563 MDL Number: MFCD00028398 InChI Key: MLILWLKTWNAOFL-UHFFFAOYSA-N Synonym: 2,2',6'-trichlorobenzanilide PubChem CID: 853837 IUPAC Name: 2-chloro-N-(2,6-dichlorophenyl)benzamide SMILES: C1=CC=C(C(=C1)C(=O)NC2=C(C=CC=C2Cl)Cl)Cl

Alfa Aesar™ 2,6-Dichlorobenzoyl chloride, 98%

CAS: 4659-45-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000662 InChI Key: JBLIDPPHFGWTKU-UHFFFAOYSA-N Synonym: 2,6-dichloro-benzoyl chloride PubChem CID: 78392 IUPAC Name: 2,6-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)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: 2-chloro-4-dihydroxyboranyl benzoic acid 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™ N-Ethyl-2,5-difluorobenzamide, 97%

CAS: 948717-61-1 Molecular Formula: C9H9F2NO Molecular Weight (g/mol): 185.174 MDL Number: MFCD11843991 InChI Key: VMNRGEZTDCWQLU-UHFFFAOYSA-N Synonym: benzamide, 2,5-difluoro-n-ethyl PubChem CID: 17683297 IUPAC Name: N-ethyl-2,5-difluorobenzamide SMILES: CCNC(=O)C1=C(C=CC(=C1)F)F

Ethyl 4-iodobenzoate, 97%, ACROS Organics™

CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.05 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: 4-iodo-benzoic acid ethyl ester PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)I

2-Chloro-4-nitrobenzamide 98.0+%, TCI America™

CAS: 3011-89-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017119 InChI Key: GFGSZUNNBQXGMK-UHFFFAOYSA-N Synonym: 2-chloro-4-nitro benzamide PubChem CID: 2075 IUPAC Name: 2-chloro-4-nitrobenzamide SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N

4-Fluoro-2-methylbenzoic Acid 98.0+%, TCI America™

CAS: 321-21-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD04115880 InChI Key: KDXOONIQRUZGSY-UHFFFAOYSA-N Synonym: 2-carboxy-5-fluorotoluene PubChem CID: 3860639 IUPAC Name: 4-fluoro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)F)C(=O)O

Alfa Aesar™ 2,6-Difluoro-3-methylbenzoyl chloride, 97%

CAS: 261763-39-7 Molecular Formula: C8H5ClF2O Molecular Weight (g/mol): 190.574 MDL Number: MFCD01631334 InChI Key: LXCIIPPXRHOCQN-UHFFFAOYSA-N Synonym: 2,6-bis fluoranyl-3-methyl-benzoyl chloride PubChem CID: 2774145 IUPAC Name: 2,6-difluoro-3-methylbenzoyl chloride SMILES: CC1=C(C(=C(C=C1)F)C(=O)Cl)F

Alfa Aesar™ 4-Bromo-2-chloro-5-fluorobenzoic acid, 98%

CAS: 177480-81-8 Molecular Formula: C7H3BrClFO2 Molecular Weight (g/mol): 253.451 MDL Number: MFCD00236589 InChI Key: TZFKKLGCVKORLS-UHFFFAOYSA-N Synonym: 2-chloro-4-bromo-5-fluorobenzoic acid PubChem CID: 2736225 IUPAC Name: 4-bromo-2-chloro-5-fluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)Br)Cl)C(=O)O

3-Chlorobenzoyl chloride, 99+%, Acros Organics

CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: 3-chlorobenzoic acid chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: C1=CC(=CC(=C1)Cl)C(=O)Cl

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