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-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™ Ethyl 2,3,4,5-tetrafluorobenzoate, 98%

CAS: 122894-73-9 Molecular Formula: C9H6F4O2 Molecular Weight (g/mol): 222.139 MDL Number: MFCD02094158 InChI Key: SBHMXBYMQZRRLC-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluorobenzoic acid ethyl ester, 2,3,4,5-tetrafluoro-benzoic acid ethyl ester, pubchem4072, acmc-1c5fu, ethyl2,3,4,5-tetrafluorobenzoate, 2,3,4,5-tetrafluoro-benzoicacidethylester, ethyl 2,3,4,5-tetrakis fluoranyl benzoate PubChem CID: 2774395 IUPAC Name: ethyl 2,3,4,5-tetrafluorobenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1F)F)F)F

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™ 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

Alfa Aesar™ 4-Chloro-2-methylbenzoic acid, 98%

CAS: 7499-07-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045852 InChI Key: HXGHMCLCSPQMOR-UHFFFAOYSA-N Synonym: 3-chloro-o-toluic acid, 3-chloro-2-methyl-benzoic acid, benzoic acid, 3-chloro-2-methyl, o-toluic acid, 3-chloro, 3-chloro-2-methylbenzoicacid, 2-methyl-3-chlorobenzoic acid, pubchem8362, 2-carboxy-6-chlorotoluene, 3chloro-2-methylbenzoic acid, 3-chloro-2-methybenzoic acid PubChem CID: 82010 IUPAC Name: 3-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1Cl)C(=O)O

Alfa Aesar™ 6-Chloro-2,3-difluorobenzamide, 97%

CAS: 1373920-98-9 Molecular Formula: C7H4ClF2NO Molecular Weight (g/mol): 191.562 MDL Number: MFCD22201031 InChI Key: RHWJPOYPLMCHEU-UHFFFAOYSA-N PubChem CID: 18471691 IUPAC Name: 6-chloro-2,3-difluorobenzamide SMILES: C1=CC(=C(C(=C1F)F)C(=O)N)Cl

Alfa Aesar™ 3-Bromo-2-methylbenzoic acid, 97%

CAS: 76006-33-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 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™ 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-difluorobenzoylchloride, benzoyl chloride, 2,5-difluoro, benzoyl chloride,2,5-difluoro, acmc-1afez, 2,5-difluoro benzoyl chloride, 2,5-difluoro-benzoyl chloride, 2,5-difluorobenzoyl chloride PubChem CID: 588082 IUPAC Name: 2,5-difluorobenzoyl chloride SMILES: C1=CC(=C(C=C1F)C(=O)Cl)F

Alfa Aesar™ 3-Fluoro-2-methylbenzoic acid, 98%

CAS: 699-90-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00075246 InChI Key: XMKZAIHFVHJGPV-UHFFFAOYSA-N Synonym: 3-fluoro-2-methyl-benzoic acid, 2-methyl-3-fluoro benzoic acid, 3-fluoro-2-methylbenzoicacid, benzoic acid, 3-fluoro-2-methyl, 6-fluortoluylsaure, pubchem1329, 2-carboxy-6-fluorotoluene, acmc-209oc1, ksc352q5t, 2-methyl-3-fluorobenzoic acid PubChem CID: 246682 IUPAC Name: 3-fluoro-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1F)C(=O)O

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

CAS: 2905-67-1 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00032710 InChI Key: BTEVDFJXGLQUDS-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzoic acid methyl ester, benzoic acid, 3,5-dichloro-, methyl ester, unii-4gim06ee3p, 4gim06ee3p, methyl-3,5-dichlorobenzoate, maybridge1_004559, acmc-1cd9x, dsstox_cid_22146, dsstox_rid_79937, dsstox_gsid_42146 PubChem CID: 76192 IUPAC Name: methyl 3,5-dichlorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)Cl)Cl

Alfa Aesar™ 3,5-Difluorobenzamide, 97%

CAS: 132980-99-5 Molecular Formula: C7H5F2NO Molecular Weight (g/mol): 157.12 MDL Number: MFCD00061138 InChI Key: CGOIBYYWOVRGGV-UHFFFAOYSA-N Synonym: benzamide, 3,5-difluoro-9ci, benzamide,3,5-difluoro, acmc-20a3q0, 3,5-bis fluoranyl benzamide, 3,5-difluorobenzamide PubChem CID: 2736910 IUPAC Name: 3,5-difluorobenzamide SMILES: C1=C(C=C(C=C1F)F)C(=O)N

Alfa Aesar™ 5-(2-Chloro-6-nitrophenylcarbamoyl)-3-fluorobenzeneboronic acid, 97%

CAS: 1449133-18-9 Molecular Formula: C13H9BClFN2O5 Molecular Weight (g/mol): 338.482 MDL Number: MFCD20126195 InChI Key: SMRJKQIAHFDGKT-UHFFFAOYSA-N Synonym: 5-2-chloro-6-nitrophenylcarbamoyl-3-fluorobenzeneboronic acid, 3-2-chloro-6-nitrophenyl carbamoyl-5-fluorophenylboronic acid PubChem CID: 73995623 IUPAC Name: [3-[(2-chloro-6-nitrophenyl)carbamoyl]-5-fluorophenyl]boronic acid SMILES: B(C1=CC(=CC(=C1)F)C(=O)NC2=C(C=CC=C2Cl)[N+](=O)[O-])(O)O

Alfa Aesar™ 3-Chlorobenzoic acid, 99%

CAS: 535-80-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002491 InChI Key: LULAYUGMBFYYEX-UHFFFAOYSA-N Synonym: m-chlorobenzoic acid, benzoic acid, 3-chloro, benzoic acid, m-chloro, 3-chlorobenzoicacid, 3-chloro-benzoic acid, m-chlorobenzoate, acido m-clorobenzoico, unii-02uoj7064k, mcba, ccris 5992 PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O

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

CAS: 5162-82-3 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00045841 InChI Key: SDKUOEOJAXGCLU-UHFFFAOYSA-N Synonym: 3-chloro-p-toluic acid, p-toluic acid, 3-chloro, benzoic acid, 3-chloro-4-methyl, 3-chloro-4-methyl-benzoic acid, 3-chloro-4-methyl benzoic acid, pubchem4569, acmc-1ayqf, 4-09-00-01743 beilstein handbook reference, ksc272s4h, 3-chloro,4-methylbenzoic acid PubChem CID: 78840 IUPAC Name: 3-chloro-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Cl

3,5-Dibromobenzoic acid, 99%, ACROS Organics™

CAS: 618-58-6 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.91 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

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

Alfa Aesar™ N,N-Diethyl-2,5-difluorobenzamide, 97%

CAS: 131401-55-3 Molecular Formula: C11H13F2NO Molecular Weight (g/mol): 213.228 MDL Number: MFCD00134465 InChI Key: JEEJMEMWBHLCKZ-UHFFFAOYSA-N Synonym: 2,5-difluoro-n,n-diethylbenzamide PubChem CID: 5044848 IUPAC Name: N,N-diethyl-2,5-difluorobenzamide SMILES: CCN(CC)C(=O)C1=C(C=CC(=C1)F)F

Alfa Aesar™ 5-Fluoro-2-methoxybenzoic acid, 97%

CAS: 394-04-7 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00671765 InChI Key: WPXFJBPJUGMYOD-UHFFFAOYSA-N Synonym: 5-fluoro-2-methoxy-benzoic acid, 2-methoxy-5-fluorobenzoic acid, benzoic acid, 5-fluoro-2-methoxy, 5-fluoro-2-methoxylbenzoic acid, pubchem2677, 5-fluoro-o-anisic acid, 2-carboxy-4-fluoroanisole, rarechem al bo 1468, buttpark 32\01-79 PubChem CID: 2737364 IUPAC Name: 5-fluoro-2-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)F)C(=O)O

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

CAS: 1352999-78-0 Molecular Formula: C8H3ClF4O2 Molecular Weight (g/mol): 242.554 MDL Number: MFCD18783222 InChI Key: DKXNRFRUJWZSOZ-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethoxy benzoyl chloride PubChem CID: 66523532 IUPAC Name: 3-fluoro-5-(trifluoromethoxy)benzoyl chloride SMILES: C1=C(C=C(C=C1OC(F)(F)F)F)C(=O)Cl

Alfa Aesar™ 3-Fluoro-5-methylbenzoic acid, 97%

CAS: 518070-19-4 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD03094313 InChI Key: XPUFVYIUPYNLPD-UHFFFAOYSA-N Synonym: 3-fluoro-5-methylbenzoicacid, 3-fluoro-5-methyl-benzoic acid, benzoic acid, 3-fluoro-5-methyl, pubchem1396, 3-carboxy-5-fluorotoluene, acmc-1b05f, ksc498a8l, 3-fluoro-5-methybenzoic acid, rarechem al bo 2238, 3-fluoro-5-methyl benzoic acid PubChem CID: 2778447 IUPAC Name: 3-fluoro-5-methylbenzoic acid SMILES: CC1=CC(=CC(=C1)C(=O)O)F

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

CAS: 1242258-49-6 Molecular Formula: C8H4F4O3 Molecular Weight (g/mol): 224.111 MDL Number: MFCD18783221 InChI Key: RPEBABGCYLHTAK-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethoxy benzoic acid PubChem CID: 66523531 IUPAC Name: 3-fluoro-5-(trifluoromethoxy)benzoic acid SMILES: C1=C(C=C(C=C1OC(F)(F)F)F)C(=O)O

Alfa Aesar™ 4-Carboxy-2-fluorobenzeneboronic acid pinacol ester, 96%

CAS: 1050423-87-4 Molecular Formula: C13H16BFO4 Molecular Weight (g/mol): 266.075 MDL Number: MFCD12756466 InChI Key: JSQNZNXVVRPGTD-UHFFFAOYSA-N Synonym: 3-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid, 4-carboxy-2-fluorophenylboronic acid pinacol ester, 4-carboxy-2-fluorobenzeneboronic acid pinacol ester, 4-carboxy-2-fluorophenylboronic acid, pinacol ester, 3-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid, 4-carboxy-2-fluorophenylboronicacidpinacolester, 3-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoicacid, 3-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl benzoic acid PubChem CID: 46739808 IUPAC Name: 3-fluoro-4-(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=C(C=C2)C(=O)O)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, 5-chloro-2-trifluoromethoxy benzoic acid, jrd PubChem CID: 57361682 IUPAC Name: 5-chloro-2-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1Cl)C(=O)O)OC(F)(F)F

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-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™ 5-Chloro-2-nitrobenzamide, 98+%

CAS: 40763-96-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017509 InChI Key: MKHXTOPPKVFSFI-UHFFFAOYSA-N Synonym: benzamide, 5-chloro-2-nitro, acmc-209jgl, 5-chloro-2-nitrobenzamid, 2-nitro-5-chlorobenzamide, 2-carbamoyl-4-chloronitrobenzene, 5-chloro-2-nitrobenzamide PubChem CID: 2723672 IUPAC Name: 5-chloro-2-nitrobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)[N+](=O)[O-]

3-Chloro-2-methylbenzoic acid, 98%, ACROS Organics™

CAS: 7499-08-3 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.6 InChI Key: HXGHMCLCSPQMOR-UHFFFAOYSA-N Synonym: 3-chloro-o-toluic acid, 3-chloro-2-methyl-benzoic acid, benzoic acid, 3-chloro-2-methyl, o-toluic acid, 3-chloro, 3-chloro-2-methylbenzoicacid, 2-methyl-3-chlorobenzoic acid, pubchem8362, 2-carboxy-6-chlorotoluene, 3chloro-2-methylbenzoic acid, 3-chloro-2-methybenzoic acid PubChem CID: 82010 IUPAC Name: 3-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1Cl)C(=O)O

Alfa Aesar™ 4-Ethoxy-2,3-difluorobenzamide, 97%

CAS: 1017779-57-5 Molecular Formula: C9H9F2NO2 Molecular Weight (g/mol): 201.173 MDL Number: MFCD09258702 InChI Key: PFXUEERRMBKGOD-UHFFFAOYSA-N Synonym: 4-ethoxy-2,3-difluorobenzamide, jrd PubChem CID: 46737619 IUPAC Name: 4-ethoxy-2,3-difluorobenzamide SMILES: CCOC1=C(C(=C(C=C1)C(=O)N)F)F

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

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