3-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-chloroperoxybenzoic acid, 3-chloroperbenzoic acid, mcpba, m-chloroperbenzoic acid, m-chloroperoxybenzoic acid, meta-chloroperoxybenzoic acid, benzenecarboperoxoic acid, 3-chloro, m-chlorobenzoyl hydroperoxide, meta-chloroperbenzoic acid, 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™ 3-Bromo-2-fluorobenzamide, 96%

CAS: 871353-25-2 Molecular Formula: C7H5BrFNO Molecular Weight (g/mol): 218.025 MDL Number: MFCD12913463 InChI Key: UWTBFBQQCCZYBF-UHFFFAOYSA-N Synonym: benzamide, 3-bromo-2-fluoro PubChem CID: 44203102 IUPAC Name: 3-bromo-2-fluorobenzamide SMILES: C1=CC(=C(C(=C1)Br)F)C(=O)N

Alfa Aesar™ 3-Bromo-5-(trifluoromethoxy)benzoic acid, 97%

CAS: 453565-90-7 Molecular Formula: C8H4BrF3O3 Molecular Weight (g/mol): 285.016 MDL Number: MFCD04116041 InChI Key: OYWFMHKHBDYTKB-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethoxy benzoic acid, 3-bromo-5-trifluoromethoxy-benzoic acid, 3-bromo-5-trifluoromethoxy benzoicacid, 5-bromo-3-trifluoromethoxy benzoic acid, benzoic acid,3-bromo-5-trifluoromethoxy, pubchem4735, acmc-1apdc, 3-bromo-5-trifluoromethoxybenzoicacid, benzoic acid, 3-bromo-5-trifluoromethoxy PubChem CID: 2782843 IUPAC Name: 3-bromo-5-(trifluoromethoxy)benzoic acid SMILES: C1=C(C=C(C=C1OC(F)(F)F)Br)C(=O)O

Alfa Aesar™ Methyl 3,5-difluorobenzoate, 98%

CAS: 216393-55-4 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD01318160 InChI Key: JBEJPGWPXIIQBB-UHFFFAOYSA-N Synonym: 3,5-difluorobenzoic acid methyl ester, benzoic acid, 3,5-difluoro-, methyl ester, acmc-209fmq, methyl-3,5-difluorophenylacetate, methyl-3,5-difluorobenzoate, 3,5-difluorobenzoicacid methyl ester, benzoic acid,3,5-difluoro-, methyl ester PubChem CID: 2775360 IUPAC Name: methyl 3,5-difluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)F)F

Alfa Aesar™ 3-Fluoro-4-methylbenzoic acid, 97%

CAS: 350-28-7 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00002490 InChI Key: XUQCONCMPCVUDM-UHFFFAOYSA-N Synonym: 3-fluoro-p-toluic acid, 3-fluoro-4-methylbenzoicacid, 3-fluoro-4-methyl-benzoic acid, benzoic acid, 3-fluoro-4-methyl, pubchem1330, acmc-209ich, 4-carboxy-2-fluorotoluene, 3-fluoro4-methylbenzoic acid, ksc223k8t, rarechem al bo 0761 PubChem CID: 67687 IUPAC Name: 3-fluoro-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)F

Alfa Aesar™ 3-Chloro-2-fluorobenzamide, 97+%

CAS: 104326-94-5 Molecular Formula: C7H5ClFNO Molecular Weight (g/mol): 173.571 MDL Number: MFCD00042205 InChI Key: KGTCFPJGIYHDRZ-UHFFFAOYSA-N Synonym: benzamide, 3-chloro-2-fluoro, acmc-1c9g7, benzamide,3-chloro-2-fluoro, 3-chloranyl-2-fluoranyl-benzamide PubChem CID: 517842 IUPAC Name: 3-chloro-2-fluorobenzamide SMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)N

Alfa Aesar™ Methyl 3-bromo-2-fluorobenzoate, 98%

CAS: 206551-41-9 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.036 MDL Number: MFCD09261255 InChI Key: ZWOFHFOFKBYRHV-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorobenzoic acid methyl ester, benzoic acid, 3-bromo-2-fluoro-, methyl ester, pubchem21940, acmc-209fct, methyl bromofluorobenzoate, methyl3-bromo-2-fluorobenzoate, 3-bromo-2-fluoro-benzoic acid methyl ester PubChem CID: 21584505 IUPAC Name: methyl 3-bromo-2-fluorobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)Br)F

3-Chloro-5-fluorobenzoic acid, 97%, ACROS Organics™

CAS: 25026-64-6 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.56 MDL Number: MFCD00973904 InChI Key: QFMRANWPGGSNHS-UHFFFAOYSA-N Synonym: 3-chloro-5-fluoro-benzoic acid, 3-fluoro-5-chlorobenzoic acid, 5-chloro-3-fluorobenzoic acid, benzoic acid, 3-chloro-5-fluoro, 3-chloro-5-fluorobenzoicacid, pubchem1373, acmc-209ggm, intermediates-zcf02673, ksc497i9n, rarechem al be 1247 PubChem CID: 2734840 IUPAC Name: 3-chloro-5-fluorobenzoic acid SMILES: C1=C(C=C(C=C1F)Cl)C(=O)O

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: m-bromobenzoic acid, 3-brombenzoic acid, benzoic acid, 3-bromo, 3-bromo-benzoic acid, benzoic acid, m-bromo, unii-7dct3a73lx, 7dct3a73lx, 3-bromo benzene acid, 3-bromobenzoicacid, 4-fluorobenzoicacid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O

Alfa Aesar™ 3-Chloro-5-(trifluoromethoxy)benzoic acid, 97%

CAS: 433926-46-6 Molecular Formula: C8H4ClF3O3 Molecular Weight (g/mol): 240.562 MDL Number: MFCD06660306 InChI Key: KVXQRRFQLRUCKN-UHFFFAOYSA-N Synonym: 3-chloro-5-trifluoromethoxy benzoic acid, 3-chloro-5-trifluoromethoxy-benzoic acid, 3-carboxy-5-chloro-alpha,alpha,alpha-trifluoroanisole, benzoic acid, 3-chloro-5-trifluoromethoxy, acmc-20an6h, 5-chloro-3-trifluoromethoxy benzoic acid PubChem CID: 17750735 IUPAC Name: 3-chloro-5-(trifluoromethoxy)benzoic acid SMILES: C1=C(C=C(C=C1OC(F)(F)F)Cl)C(=O)O

Alfa Aesar™ Methyl 5-chloro-2-methoxybenzoate, 98%

CAS: 33924-48-0 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 MDL Number: MFCD00017511 InChI Key: HPTHYBXMNNGQEF-UHFFFAOYSA-N Synonym: methyl 5-chloro-o-anisate, methyl-5-chloro-2-methoxybenzoate, 5-chloro-2-methoxybenzoic acid methyl ester, benzoic acid, 5-chloro-2-methoxy-, methyl ester, 5-chloro-o-anisic acid methyl ester, 5-chloro-2-methoxy-benzoic acid methyl ester, pubchem3709, methyl5-chloro-2-methoxybenzoate, acmc-1agpb, dsstox_cid_31509 PubChem CID: 118574 IUPAC Name: methyl 5-chloro-2-methoxybenzoate SMILES: COC1=C(C=C(C=C1)Cl)C(=O)OC

Alfa Aesar™ 2-Chloro-3,6-difluorobenzoyl chloride, 97%

CAS: 261762-42-9 Molecular Formula: C7H2Cl2F2O Molecular Weight (g/mol): 210.989 MDL Number: MFCD01631442 InChI Key: CBFPZKKUVNEIFF-UHFFFAOYSA-N Synonym: 2-chloro-3,6-difluorobenzoylchloride, acmc-20ao08, 2-chloro-3,6,-difluorobenzoyl chloride, benzoyl chloride,2-chloro-3,6-difluoro, 2-chloranyl-3,6-bis fluoranyl benzoyl chloride, benzoyl chloride, 2-chloro-3,6-difluoro-9ci PubChem CID: 2773536 IUPAC Name: 2-chloro-3,6-difluorobenzoyl chloride SMILES: C1=CC(=C(C(=C1F)C(=O)Cl)Cl)F

Alfa Aesar™ 2-Chloro-4-(methylcarbamoyl)benzeneboronic acid, 97%

CAS: 1451391-89-1 Molecular Formula: C8H9BClNO3 Molecular Weight (g/mol): 213.424 MDL Number: MFCD22125174 InChI Key: LSMHGCJWZPHACP-UHFFFAOYSA-N Synonym: 2-chloro-4-methylcarbamoyl phenylboronic acid, 2-chloro-4-methylcarbamoyl benzeneboronic acid, 2-chloro-4-methylcarbamoyl phenyl boronic acid PubChem CID: 73996177 IUPAC Name: [2-chloro-4-(methylcarbamoyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)NC)Cl)(O)O

Alfa Aesar™ 3-Bromobenzhydrazide, 98+%

CAS: 39115-96-3 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00007600 InChI Key: BNAQRAZIPAHWAR-UHFFFAOYSA-N Synonym: 3-bromobenzhydrazide, m-bromobenzohydrazide, 3-bromobenzoic hydrazide, benzoic acid, 3-bromo-, hydrazide, 3-bromobenzoic acid hydrazide, 3-bromobenzoylhydrazine, benzoylhydrazine, m-bromo, 3-bromo-benzoic acid hydrazide, 3-bromobenzenecarbohydrazide, 3-bromanylbenzohydrazide PubChem CID: 520941 IUPAC Name: 3-bromobenzohydrazide SMILES: C1=CC(=CC(=C1)Br)C(=O)NN

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-Bromo-4-methylbenzoic acid, 98%, ACROS Organics™

CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoicacid, 3-bromo-p-toluic acid, benzoic acid, 3-bromo-4-methyl, 3-bromo-4-methyl-benzoic acid, bromo-p-toluic acid, pubchem3806, bromo-para-toluic acid, 3-bromo4-methylbenzoic acid, acmc-1bg95, akos bbb/219 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Br

Alfa Aesar™ 3-Fluoro-5-(methoxycarbonyl)benzeneboronic acid, 95%

CAS: 871329-62-3 Molecular Formula: C8H8BFO4 Molecular Weight (g/mol): 197.956 MDL Number: MFCD07363749 InChI Key: VKHJVASTGLPBBL-UHFFFAOYSA-N Synonym: 3-fluoro-5-methoxycarbonyl phenyl boronic acid, 3-fluoro-5-methoxycarbonylphenyl boronic acid, 3-fluoro-5-methoxycarbonyl phenylboronic acid, 3-fluoro-5-methoxycarbonyl benzeneboronic acid, benzoic acid,3-borono-5-fluoro-, 1-methyl ester 9ci, methyl 3-borono-5-fluorobenzoate, acmc-209qg6, ksc657s1f, 3-fluoro-5-methoxycarbonylphenylboronicacid PubChem CID: 44717206 IUPAC Name: (3-fluoro-5-methoxycarbonylphenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)F)C(=O)OC)(O)O

Alfa Aesar™ Ethyl pentafluorobenzoate, 98%

CAS: 4522-93-4 Molecular Formula: C9H5F5O2 Molecular Weight (g/mol): 240.129 MDL Number: MFCD00039211 InChI Key: DFUDMSIRGGTHGI-UHFFFAOYSA-N Synonym: ethyl pentafluorobenzoate, ethyl perfluorobenzoate, pentafluorobenzoic acid ethyl ester, 2,3,4,5,6-pentafluoro-benzoic acid ethyl ester, benzoic acid, pentafluoro-, ethyl ester, ethylpentafluorobenzoate, acmc-1ajj1, rarechem al bi 0017, perfluorobenzoic acid ethyl ester PubChem CID: 78283 IUPAC Name: ethyl 2,3,4,5,6-pentafluorobenzoate SMILES: CCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F

Alfa Aesar™ 3-Fluorobenzoic acid, 99%

CAS: 455-38-9 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00002489 InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N Synonym: m-fluorobenzoic acid, benzoic acid, 3-fluoro, meta-fluorobenzoic acid, benzoic acid, m-fluoro, 3-fluoro-benzoic acid, 3-fluorobenzoicacid, pubchem3480, 3-fluorobenzoic acid, ksc235q1b, paragos 390192 PubChem CID: 9968 ChEBI: CHEBI:20021 IUPAC Name: 3-fluorobenzoic acid SMILES: C1=CC(=CC(=C1)F)C(=O)O

Alfa Aesar™ 3-Carboxy-5-fluorobenzeneboronic acid pinacol ester, 96%

CAS: 936728-22-2 Molecular Formula: C13H16BFO4 Molecular Weight (g/mol): 266.075 MDL Number: MFCD12756465 InChI Key: NMYIHYHALOHVHV-UHFFFAOYSA-N Synonym: 3-fluoro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid, 3-carboxy-5-fluorophenylboronic acid, pinacol ester, 3-carboxy-5-fluorobenzeneboronic acid pinacol ester, 3-fluoro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoicacid, 3-fluoro-5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid PubChem CID: 46739807 IUPAC Name: 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)C(=O)O

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-Iodobenzoic acid, 98+%

CAS: 618-51-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002496 InChI Key: KVBWBCRPWVKFQT-UHFFFAOYSA-N Synonym: m-iodobenzoic acid, benzoic acid, 3-iodo, 3-iodo-benzoic acid, benzoic acid, m-iodo, 3-iodobenzoicacid, 3-carboxyiodobenzene, 3-iodo benzoic acid, pubchem3925, acmc-209mwv, meta-carboxy iodo-benzene PubChem CID: 12060 IUPAC Name: 3-iodobenzoic acid SMILES: C1=CC(=CC(=C1)I)C(=O)O

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

CAS: 886732-29-2 Molecular Formula: C9H6FNO2 Molecular Weight (g/mol): 179.15 MDL Number: MFCD08688582 InChI Key: YZDWAFGKJVAXAM-UHFFFAOYSA-N Synonym: 3-cyano-5-fluorobenzoic acid methyl ester, benzoic acid, 3-cyano-5-fluoro-, methyl ester PubChem CID: 26597287 IUPAC Name: methyl 3-cyano-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)C#N)F

Alfa Aesar™ 3,5-Dibromobenzoic acid, 98%

CAS: 618-58-6 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00051758 InChI Key: SFTFNJZWZHASAQ-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dibromo, 3,5-dibromobenzoicacid, benzoicacid, 3,5-dibromo, buttpark 99\57-19, pubchem3861, acmc-209mwz, maybridge1_003318, 3,5-dibromo-benzoic acid, 4-09-00-01028 beilstein handbook reference, ksc358a3h PubChem CID: 12063 IUPAC Name: 3,5-dibromobenzoic acid SMILES: C1=C(C=C(C=C1Br)Br)C(=O)O

3-Bromo-2-methylbenzoic acid, 97%, ACROS Organics™

CAS: 76006-33-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00270097 InChI Key: BJGKVCKGUBYULR-UHFFFAOYSA-N Synonym: 3-bromo-o-toluic acid, 2-methyl-3-bromobenzoic acid, 3-bromo-2-methyl-benzoic acid, benzoic acid, 3-bromo-2-methyl, pubchem4717, bromo-methylbenzoic acid, 2-bromo-6-carboxytoluene, 3-bromo-2-methybenzoic acid, 3-bromo-2-methylbenzoicacid, ksc377a4p PubChem CID: 2735590 IUPAC Name: 3-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1Br)C(=O)O

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-chloroperoxybenzoic acid, 3-chloroperbenzoic acid, mcpba, m-chloroperbenzoic acid, m-chloroperoxybenzoic acid, meta-chloroperoxybenzoic acid, benzenecarboperoxoic acid, 3-chloro, m-chlorobenzoyl hydroperoxide, meta-chloroperbenzoic acid, 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™ 5-Fluoro-2-methylbenzoic acid, 99%

CAS: 33184-16-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00042294 InChI Key: JVBLXLBINTYFPR-UHFFFAOYSA-N Synonym: 2-methyl-5-fluorobenzoic acid, 5-fluoro-o-toluic acid, 3-fluoro-6-methylbenzoic acid, 5-fluoro-2-methylbenzoicacid, benzoic acid, 5-fluoro-2-methyl, 5-fluoro-2-methyl-benzoic acid, 5-fluoro-2-methyl benzoic acid, benzoicacid, 5-fluoro-2-methyl, pubchem1326 PubChem CID: 182114 IUPAC Name: 5-fluoro-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)F)C(=O)O

Alfa Aesar™ 5-Fluoro-2-methoxybenzamide, 97%

CAS: 704-04-1 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD06409124 InChI Key: CJDKHPOEWZBRAJ-UHFFFAOYSA-N Synonym: 5-fluoro-2-methoxybenzamide, jrd PubChem CID: 17839885 IUPAC Name: 5-fluoro-2-methoxybenzamide SMILES: COC1=C(C=C(C=C1)F)C(=O)N

3-Fluorobenzoyl chloride, 97%, ACROS Organics™

CAS: 1711-07-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000670 InChI Key: SYVNVEGIRVXRQH-UHFFFAOYSA-N Synonym: m-fluorobenzoyl chloride, benzoyl chloride, 3-fluoro, benzoyl chloride, m-fluoro, m-fluorobenzoic acid chloride, 3-fluorobenzoic acid chloride, 3-fluorobenzoylchloride, gvr cf, m-fluorobenzoylchloride, pubchem19742, m-fluoro-benzoylchloride PubChem CID: 74376 IUPAC Name: 3-fluorobenzoyl chloride SMILES: C1=CC(=CC(=C1)F)C(=O)Cl

Alfa Aesar™ 2,5-Dichlorobenzamide, 97%

CAS: 5980-26-7 Molecular Formula: C7H5Cl2NO Molecular Weight (g/mol): 190.023 MDL Number: MFCD00017609 InChI Key: NMHJIYQWKWHDSX-UHFFFAOYSA-N Synonym: benzamide, 2,5-dichloro, 2,5-dichloro-benzamide, benzamide,2,5-dichloro, acmc-209w3r, ksc610k1t PubChem CID: 22290 IUPAC Name: 2,5-dichlorobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)Cl

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