Halobenzoic acids and derivatives

Alfa Aesar™ 4-Chloro-3-ethoxy-2-fluorobenzoyl chloride, 97%

CAS: 1323966-42-2 Molecular Formula: C9H7Cl2FO2 Molecular Weight (g/mol): 237.051 MDL Number: MFCD19687216 InChI Key: XTWYKHZMPKQVSM-UHFFFAOYSA-N PubChem CID: 66523586 IUPAC Name: 4-chloro-3-ethoxy-2-fluorobenzoyl chloride SMILES: CCOC1=C(C=CC(=C1F)C(=O)Cl)Cl

Alfa Aesar™ 6-Chloro-2-fluoro-3-methoxybenzamide, 97%

CAS: 886761-75-7 Molecular Formula: C8H7ClFNO2 Molecular Weight (g/mol): 203.597 MDL Number: MFCD06660354 InChI Key: AZUOJQIOSGRMMS-UHFFFAOYSA-N Synonym: 6-chloro-2-fluoro-3-methoxybenzenecarboxamide PubChem CID: 17999360 IUPAC Name: 6-chloro-2-fluoro-3-methoxybenzamide SMILES: COC1=C(C(=C(C=C1)Cl)C(=O)N)F

Alfa Aesar™ 3,5-Difluoro-2-methylbenzoic acid, 97%

CAS: 1003710-06-2 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD09832334 InChI Key: PTGLKDIYYKDEQX-UHFFFAOYSA-N Synonym: 3,5-difluoro-2-methyl-benzoic acid PubChem CID: 20111761 IUPAC Name: 3,5-difluoro-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1C(=O)O)F)F

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

CAS: 18063-02-0 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.547 MDL Number: MFCD00000659 InChI Key: QRHUZEVERIHEPT-UHFFFAOYSA-N Synonym: 2 6-difluorobenzoyl chloride PubChem CID: 87438 IUPAC Name: 2,6-difluorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)F)C(=O)Cl)F

Alfa Aesar™ 5-Chloro-2-(trifluoromethoxy)benzoic acid, 97%

CAS: 959749-82-7 Molecular Formula: C8H4ClF3O3 Molecular Weight (g/mol): 240.562 MDL Number: MFCD11519354 InChI Key: MXQBGMLCAJITNV-UHFFFAOYSA-N Synonym: 5-chloro-2-trifluoromethoxy benzoic acid PubChem CID: 57361682 IUPAC Name: 5-chloro-2-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1Cl)C(=O)O)OC(F)(F)F

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-bromanylbenzohydrazide PubChem CID: 520941 IUPAC Name: 3-bromobenzohydrazide SMILES: C1=CC(=CC(=C1)Br)C(=O)NN

Alfa Aesar™ 4,5-Difluoro-2-methylbenzoic acid, 98%

CAS: 183237-86-7 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD08062377 InChI Key: LDMHYYGJZWDBQL-UHFFFAOYSA-N Synonym: 2-carboxy-4,5-difluorotoluene PubChem CID: 17760483 IUPAC Name: 4,5-difluoro-2-methylbenzoic acid SMILES: CC1=CC(=C(C=C1C(=O)O)F)F

Alfa Aesar™ 3,5-Difluorobenzoic acid, 97%

CAS: 455-40-3 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00010323 InChI Key: GONAVIHGXFBTOZ-UHFFFAOYSA-N Synonym: 3,5 difluoro benzoic acid PubChem CID: 101265 IUPAC Name: 3,5-difluorobenzoic acid SMILES: C1=C(C=C(C=C1F)F)C(=O)O

Alfa Aesar™ 3,4-Dichlorobenzoyl chloride, 97%

CAS: 3024-72-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000672 InChI Key: VTXNOVCTHUBABW-UHFFFAOYSA-N Synonym: 2,3-dichlorobenzoyl PubChem CID: 76403 IUPAC Name: 3,4-dichlorobenzoyl chloride SMILES: C1=CC(=C(C=C1C(=O)Cl)Cl)Cl

Alfa Aesar™ Methyl 3-chloro-5-iodobenzoate, 98%

CAS: 289039-85-6 Molecular Formula: C8H6ClIO2 Molecular Weight (g/mol): 296.488 MDL Number: MFCD00673018 InChI Key: ZDSIXLJPASGHDW-UHFFFAOYSA-N Synonym: 3-chloro-5-iodo-benzoic acid methyl ester PubChem CID: 24721134 IUPAC Name: methyl 3-chloro-5-iodobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)I)Cl

2-Fluorobenzoyl chloride, 97%, ACROS Organics™

CAS: 393-52-2 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000656 InChI Key: RAAGZOYMEQDCTD-UHFFFAOYSA-N Synonym: 2-fluoro benzoyl chloride PubChem CID: 9808 IUPAC Name: 2-fluorobenzoyl chloride SMILES: C1=CC=C(C(=C1)C(=O)Cl)F

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

CAS: 261762-81-6 Molecular Formula: C8H5Cl2FO Molecular Weight (g/mol): 207.025 MDL Number: MFCD01631371 InChI Key: NWTPJKCARLIKFP-UHFFFAOYSA-N Synonym: 2-fluoro-6-chloro-3-methyl-benzoyl chloride PubChem CID: 2773671 IUPAC Name: 6-chloro-2-fluoro-3-methylbenzoyl chloride SMILES: CC1=C(C(=C(C=C1)Cl)C(=O)Cl)F

Alfa Aesar™ 5-Dimethylcarbamoyl-2-fluorobenzeneboronic acid, 98%

CAS: 874289-46-0 Molecular Formula: C9H11BFNO3 Molecular Weight (g/mol): 210.999 MDL Number: MFCD08235102 InChI Key: BCTHFQUQSOEPDW-UHFFFAOYSA-N Synonym: 5-dimethylamino oxo methyl-2-fluorophenyl boronic acid PubChem CID: 44717599 IUPAC Name: [5-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)N(C)C)F)(O)O

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

Alfa Aesar™ 4-Fluoro-2-(trifluoromethoxy)benzoyl chloride, 97%

CAS: 1323966-38-6 Molecular Formula: C8H3ClF4O2 Molecular Weight (g/mol): 242.554 MDL Number: MFCD19687189 InChI Key: RAPKOVZLHNOHEJ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethoxy benzoyl chloride PubChem CID: 66523624 IUPAC Name: 4-fluoro-2-(trifluoromethoxy)benzoyl chloride SMILES: C1=CC(=C(C=C1F)OC(F)(F)F)C(=O)Cl

Alfa Aesar™ 5-tert-Butylcarbamoyl-2-fluorobenzeneboronic acid, 97%

CAS: 874289-51-7 Molecular Formula: C11H15BFNO3 Molecular Weight (g/mol): 239.053 MDL Number: MFCD08436054 InChI Key: KKSGPXWRHLBCCW-UHFFFAOYSA-N Synonym: 5-tert-butylamino-oxomethyl-2-fluorophenyl boronic acid PubChem CID: 44717479 IUPAC Name: [5-(tert-butylcarbamoyl)-2-fluorophenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC(C)(C)C)F)(O)O

Methyl 4-bromobenzoate 99%, ACROS Organics™

CAS: 619-42-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00013531 InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N Synonym: 4-bromobenzoic acid methyl ester PubChem CID: 12081 IUPAC Name: methyl 4-bromobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Br

4-Iodobenzoic Acid 98%, ACROS Organics™

CAS: 619-58-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.02 MDL Number: MFCD00002533 InChI Key: GHICCUXQJBDNRN-UHFFFAOYSA-N Synonym: 4-iodo benzoic acid PubChem CID: 12085 IUPAC Name: 4-iodobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)I

Alfa Aesar™ Methyl 4-iodobenzoate, 98%

CAS: 619-44-3 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: 4-iodo-benzoic acid methyl ester PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate SMILES: COC(=O)C1=CC=C(C=C1)I

Alfa Aesar™ 4-Chlorobenzoic acid, 98+%

CAS: 74-11-3 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002531 InChI Key: XRHGYUZYPHTUJZ-UHFFFAOYSA-N Synonym: 4-chloro-benzoic acid PubChem CID: 6318 ChEBI: CHEBI:30747 IUPAC Name: 4-chlorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Cl

Alfa Aesar™ 3-Carboxy-2-fluorobenzeneboronic acid pinacol ester, 96%

CAS: 1373168-89-8 Molecular Formula: C13H16BFO4 Molecular Weight (g/mol): 266.075 InChI Key: WVKOYVWFDCAHKF-UHFFFAOYSA-N Synonym: 2-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid PubChem CID: 56737743 IUPAC Name: 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C(=O)O)F

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-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™ 4-Iodobenzoyl chloride, 98%

CAS: 1711-02-0 Molecular Formula: C7H4ClIO Molecular Weight (g/mol): 266.462 MDL Number: MFCD00001058 InChI Key: NJAKCIUOTIPYED-UHFFFAOYSA-N Synonym: 4-iodo benzoyl chloride PubChem CID: 74373 IUPAC Name: 4-iodobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)I

Alfa Aesar™ 4-Ethoxy-2-fluorobenzamide, 97%

CAS: 1206593-31-8 Molecular Formula: C9H10FNO2 Molecular Weight (g/mol): 183.182 MDL Number: MFCD13196592 InChI Key: ZSPVCLBFKSZFIP-UHFFFAOYSA-N PubChem CID: 57361365 IUPAC Name: 4-ethoxy-2-fluorobenzamide SMILES: CCOC1=CC(=C(C=C1)C(=O)N)F

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: 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-4-(trifluoromethoxy)benzoic acid, 97%

CAS: 886498-89-1 Molecular Formula: C8H4F4O3 Molecular Weight (g/mol): 224.111 MDL Number: MFCD06660202 InChI Key: PIBFTHWKVKHHMA-UHFFFAOYSA-N Synonym: 3-fluoro-4-trifluoromethoxy benzoic acid PubChem CID: 2783356 IUPAC Name: 3-fluoro-4-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)OC(F)(F)F

Alfa Aesar™ 3-Fluoro-4-(methoxycarbamoyl)benzeneboronic acid, 97%

CAS: 913835-58-2 Molecular Formula: C8H9BFNO4 Molecular Weight (g/mol): 212.971 MDL Number: MFCD08436059 InChI Key: RZYYOLUTTNFCAU-UHFFFAOYSA-N Synonym: 3-fluoranyl-4-methoxycarbamoyl phenyl boronic acid PubChem CID: 44717475 IUPAC Name: [3-fluoro-4-(methoxycarbamoyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)NOC)F)(O)O

Alfa Aesar™ Methyl 2,4-difluorobenzoate, 98%

CAS: 106614-28-2 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD03093799 InChI Key: YQUHULOBTDYMAG-UHFFFAOYSA-N Synonym: 2,4-difluoro-benzoic acid methyl ester PubChem CID: 2782897 IUPAC Name: methyl 2,4-difluorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)F

Alfa Aesar™ Methyl 3-bromobenzoate, 98+%

CAS: 618-89-3 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00017777 InChI Key: KMFJVYMFCAIRAN-UHFFFAOYSA-N Synonym: 3-bromobenzoic acid methyl ester PubChem CID: 12070 IUPAC Name: methyl 3-bromobenzoate SMILES: COC(=O)C1=CC(=CC=C1)Br

Alfa Aesar™ 3-Fluoro-5-(trifluoromethoxy)benzamide, 97%

CAS: 1352999-12-2 Molecular Formula: C8H5F4NO2 Molecular Weight (g/mol): 223.127 MDL Number: MFCD18783223 InChI Key: UWJVDWZVDASOBE-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethoxy benzamide PubChem CID: 66523540 IUPAC Name: 3-fluoro-5-(trifluoromethoxy)benzamide SMILES: C1=C(C=C(C=C1OC(F)(F)F)F)C(=O)N

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