Halobenzoic acids and derivatives

3-Chloroperoxybenzoic acid, 70-75%, balance 3-Chlorobenzoic acid and water, ACROS Organics™

CAS: 937-14-4 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.57 MDL Number: MFCD00002127 InChI Key: NHQDETIJWKXCTC-UHFFFAOYSA-N Synonym: 3-chlorobenzoperoxoic acid PubChem CID: 70297 ChEBI: CHEBI:52091 IUPAC Name: 3-chlorobenzenecarboperoxoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)OO

Alfa Aesar™ Diatrizoic acid

CAS: 117-96-4 Molecular Formula: C11H9I3N2O4 Molecular Weight (g/mol): 613.916 MDL Number: MFCD00069960 InChI Key: YVPYQUNUQOZFHG-UHFFFAOYSA-N Synonym: amidotrizoate PubChem CID: 2140 ChEBI: CHEBI:53691 IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I

Alfa Aesar™ 2,5-Dibromobenzoic acid, 98%

CAS: 610-71-9 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00016494 InChI Key: SQQKOTVDGCJJKI-UHFFFAOYSA-N Synonym: 2,5-dibromo-benzoic acid PubChem CID: 11891 IUPAC Name: 2,5-dibromobenzoic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)Br

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

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: 3-bromo-5-iodo benzoic acid PubChem CID: 5182520 IUPAC Name: 3-bromo-5-iodobenzoic acid SMILES: C1=C(C=C(C=C1Br)I)C(=O)O

4-Bromobenzoic acid, 97%, ACROS Organics™

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 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

3-Bromobenzoic acid, 99%, ACROS Organics™

CAS: 585-76-2 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002487 InChI Key: VOIZNVUXCQLQHS-UHFFFAOYSA-N Synonym: 3-brombenzoic acid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O

2-Bromobenzoic Acid 97%, ACROS Organics™

CAS: 88-65-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002402 InChI Key: XRXMNWGCKISMOH-UHFFFAOYSA-N Synonym: 2-bromo-benzoic acid PubChem CID: 6940 IUPAC Name: 2-bromobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Br

4-Fluoro-3-formyl-benzoic acid, 97%, Maybridge

CAS: 845885-90-7 Molecular Formula: C8H5FO3 Molecular Weight (g/mol): 168.123 InChI Key: SKPWEADPCJMLID-UHFFFAOYSA-N Synonym: 3-formyl-4-fluorobenzoic acid PubChem CID: 2794818 IUPAC Name: 4-fluoro-3-formylbenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)C=O)F

Alfa Aesar™ 3-Chloroperoxybenzoic acid, 50-55%, cont. ca 10% 3-chlorobenzoic acid, balance water

CAS: 937-14-4 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.564 MDL Number: MFCD00002127 InChI Key: NHQDETIJWKXCTC-UHFFFAOYSA-N Synonym: 3-chlorobenzoperoxoic acid PubChem CID: 70297 ChEBI: CHEBI:52091 IUPAC Name: 3-chlorobenzenecarboperoxoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)OO

Alfa Aesar™ 2-Fluoro-4-methylbenzoyl chloride, 97%

CAS: 59189-98-9 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD04115879 InChI Key: SVSVOPWCUHQFAM-UHFFFAOYSA-N Synonym: 2-fluoro-4-methyl-benzoyl chloride PubChem CID: 5173367 IUPAC Name: 2-fluoro-4-methylbenzoyl chloride SMILES: CC1=CC(=C(C=C1)C(=O)Cl)F

Alfa Aesar™ Methyl 4-iodo-2-methoxybenzoate, 98+%

CAS: 148490-97-5 Molecular Formula: C9H9IO3 Molecular Weight (g/mol): 292.072 MDL Number: MFCD06797865 InChI Key: MCNOTXROWOGSGU-UHFFFAOYSA-N Synonym: 2-methoxy-4-iodo-benzoic acid methyl ester PubChem CID: 22619468 IUPAC Name: methyl 4-iodo-2-methoxybenzoate SMILES: COC1=C(C=CC(=C1)I)C(=O)OC

2-Bromo-5-fluorobenzoic acid, 99%, Acros Organics™

CAS: 394-28-5 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.01 InChI Key: OQBMJMJZMDBQSM-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorbenzoic acid PubChem CID: 2778181 IUPAC Name: 2-bromo-5-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)Br

Alfa Aesar™ 2,3,4,6-Tetrafluorobenzoyl chloride, 98%

CAS: 123016-51-3 Molecular Formula: C7HClF4O Molecular Weight (g/mol): 212.528 MDL Number: MFCD03001171 InChI Key: UYKQDVFTGGRFEQ-UHFFFAOYSA-N Synonym: 2,3,4,6-tetrafluorobenzoylchloride PubChem CID: 2783276 IUPAC Name: 2,3,4,6-tetrafluorobenzoyl chloride SMILES: C1=C(C(=C(C(=C1F)F)F)C(=O)Cl)F

3-Chlorobenzoic acid, 99+%, ACROS Organics™

CAS: 535-80-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002491 InChI Key: LULAYUGMBFYYEX-UHFFFAOYSA-N Synonym: 3-chloro-benzoic acid PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O

Methyl 2-iodobenzoate, 99+%, ACROS Organics™

CAS: 610-97-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.04 MDL Number: MFCD00016351 InChI Key: BXXLTVBTDZXPTN-UHFFFAOYSA-N Synonym: 2-iodo-benzoic acid methyl ester PubChem CID: 69132 IUPAC Name: methyl 2-iodobenzoate SMILES: COC(=O)C1=CC=CC=C1I

Alfa Aesar™ 2,5-Difluorobenzoyl chloride, 98%

CAS: 35730-09-7 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.547 MDL Number: MFCD00009929 InChI Key: RLRUKKDFNWXXRT-UHFFFAOYSA-N Synonym: 2,5-difluoro benzoyl chloride PubChem CID: 588082 IUPAC Name: 2,5-difluorobenzoyl chloride SMILES: C1=CC(=C(C=C1F)C(=O)Cl)F

4-Fluorobenzoyl Chloride 98%, ACROS Organics™

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 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™ 2-Iodobenzoic acid, 98+%

CAS: 88-67-5 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002419 InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N Synonym: 2-iodo benzoic acid PubChem CID: 6941 ChEBI: CHEBI:287979 IUPAC Name: 2-iodobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I

Alfa Aesar™ 2,6-Dichlorobenzamide, 98%

CAS: 2008-58-4 Molecular Formula: C7H5Cl2NO Molecular Weight (g/mol): 190.023 MDL Number: MFCD00007975 InChI Key: JHSPCUHPSIUQRB-UHFFFAOYSA-N Synonym: 2,6-bam PubChem CID: 16183 ChEBI: CHEBI:28435 IUPAC Name: 2,6-dichlorobenzamide SMILES: C1=CC(=C(C(=C1)Cl)C(=O)N)Cl

Alfa Aesar™ Furosemide, 97+%

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.739 MDL Number: MFCD00010549 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: aisemide PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

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: 4-brom-benzoesaeure PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

ethyle2-bromobenzoate, 98%, ACROS Organics™

CAS: 6091-64-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00015443 InChI Key: BIHHBTVQFPVSTE-UHFFFAOYSA-N Synonym: 2-bromobenzoic acid ethyl ester PubChem CID: 80186 IUPAC Name: ethyl 2-bromobenzoate SMILES: CCOC(=O)C1=CC=CC=C1Br

4-Bromobenzoyl Chloride 98.0+%, TCI America™

CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00000683 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: 4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)Br

2-Iodobenzoic Acid 98.0+%, TCI America™

CAS: 88-67-5 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002419 InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N Synonym: 2-iodo benzoic acid PubChem CID: 6941 ChEBI: CHEBI:287979 IUPAC Name: 2-iodobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I

Alfa Aesar™ 2-Chlorobenzamide, 98%

CAS: 609-66-5 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.581 MDL Number: MFCD00007973 InChI Key: RBGDLYUEXLWQBZ-UHFFFAOYSA-N Synonym: 2-chlorobenzamide PubChem CID: 69111 IUPAC Name: 2-chlorobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)Cl

2-Chloro-4-nitrobenzoyl Chloride 98.0+%, TCI America™

CAS: 7073-36-1 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.005 MDL Number: MFCD00051515 InChI Key: KTHNITVDTYAHFF-UHFFFAOYSA-N Synonym: 2-chloro-4-nitro-benzoyl chloride PubChem CID: 81522 IUPAC Name: 2-chloro-4-nitrobenzoyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl

ethyle3-bromobenzoate, 98%, ACROS Organics™

CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.08 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

Pentafluorobenzoyl chloride, 98%, ACROS Organics™

CAS: 2251-50-5 Molecular Formula: C7ClF5O Molecular Weight (g/mol): 230.52 InChI Key: MYHOHFDYWMPGJY-UHFFFAOYSA-N Synonym: 67924-15-6 unspecified acetate PubChem CID: 75256 ChEBI: CHEBI:39425 IUPAC Name: 2,3,4,5,6-pentafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl

2-Iodosobenzoic acid, 98%, ACROS Organics™

CAS: 304-91-6 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.018 InChI Key: IFPHDUVGLXEIOQ-UHFFFAOYSA-N Synonym: 2-iodosobenzoic acid PubChem CID: 67537 ChEBI: CHEBI:52698 IUPAC Name: 2-iodosylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I=O

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