3-halobenzoic acids and derivatives

4-Carboxy-2-fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 851335-07-4 Molecular Formula: C7H6BFO4 Molecular Weight (g/mol): 183.929 MDL Number: MFCD08458473 InChI Key: TVNVDRMGOOLVOX-UHFFFAOYSA-N Synonym: 4-Carboxy-2-fluorobenzeneboronic Acid PubChem CID: 23134177 IUPAC Name: 4-borono-3-fluorobenzoic acid SMILES: B(C1=C(C=C(C=C1)C(=O)O)F)(O)O

Methyl 2-Bromo-5-chlorobenzoate 98.0+%, TCI America™

CAS: 27007-53-0 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD00144763 InChI Key: BIECSXCXIXHDBC-UHFFFAOYSA-N Synonym: 2-bomo-5-chlorobenzoic acid methyl ester, 2-bromo-5-chlorobenzoic acid methyl ester, acmc-1cr8r, benzoic acid, 2-bromo-5-chloro-, methyl ester, ksc494q3f, methyl 2-bromanyl-5-chloranyl-benzoate, methyl 2-bromo-5-chloro-benzoate, methyl-2-bromo-5-chlorobenzoate, pubchem11238 PubChem CID: 280500 IUPAC Name: methyl 2-bromo-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Br

Methyl 3-Bromobenzoate 99.0+%, TCI America™

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, 3-bromobenzoic acid, methyl ester, benzoic acid, 3-bromo-, methyl ester, benzoic acid, m-bromo-, methyl ester, m-bromobenzoic acid methyl ester, methyl 3-bromo-benzoate, methyl m-bromo benzoate, methyl m-bromobenzoate, methyl-3-bromobenzoate, pubchem3961 PubChem CID: 12070 IUPAC Name: methyl 3-bromobenzoate SMILES: COC(=O)C1=CC(=CC=C1)Br

Alfa Aesar™ 2,3-Dichlorobenzoyl chloride, 98%

CAS: 2905-60-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00035937 InChI Key: YBONBWJSFMTXLE-UHFFFAOYSA-N Synonym: 2, 3-dichlorobenzoyl chloride, 2,3-dcoc, 2,3-dichlorobenzoyl-chloride, 2,3-dichlorobenzoylchloride, acmc-1cfin, benzoyl chloride, 2,3-dichloro, benzoyl chloride, dichloro, dichlorobenzoyl chloride, ksc202s8t, unii-i50f21ps1n PubChem CID: 17944 IUPAC Name: 2,3-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl

Alfa Aesar™ 3-Bromo-4-methylbenzoic acid, 98+%

CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00002488 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methyl-benzoic acid, 3-bromo-4-methylbenzoicacid, 3-bromo-p-toluic acid, 3-bromo4-methylbenzoic acid, acmc-1bg95, akos bbb/219, benzoic acid, 3-bromo-4-methyl, bromo-p-toluic acid, bromo-para-toluic acid, pubchem3806 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Br

PD 0325901, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 391210-10-9 Molecular Formula: C16H14F3IN2O4 Molecular Weight (g/mol): 482.198 InChI Key: SUDAHWBOROXANE-SECBINFHSA-N Synonym: n-2r-2,3-dihydroxypropoxy-3,4-difluoro-2-2-fluoro-4-iodo-anilino benzamide, n-2r-2,3-dihydroxypropoxy-3,4-difluoro-2-2-fluoro-4-iodoanilino benzamide, n-2r-2,3-dihydroxypropoxy-3,4-difluoro-2-2-fluoro-4-iodophenyl amino benzamide, n-2r-2,3-dihydroxypropoxy-3,4-difluoro-2-2-fluoro-4-iodophenyl amino-benzamide, n-2r-2,3-dihydroxypropyl oxy-3,4-difluoro-2-2-fluoro-4-iodophenyl amino benzamide, n-r-2,3-dihydroxy-propoxy-3,4-difluoro-2-2-fluoro-4-iodo-phenylamino-benzamide, n-r-2,3-dihydroxypropyl oxy-3,4-difluoro-2-2-fluoro-4-iodophenyl amino benzamide, r-n-2,3-dihydroxypropoxy-3,4-difluoro-2-2-fluoro-4-iodophenyl amino benzamide, r-n-2,3-dihydroxypropoxy-3,4-difluoro-2-2-fluoro-4-iodophenylamino benzamide, unii-86k0j5ak6m PubChem CID: 9826528 IUPAC Name: N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide SMILES: C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)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-chlorobenzoperoxoic acid, 3-chloroperbenzoic acid, 3-chloroperoxybenzoic acid, benzenecarboperoxoic acid, 3-chloro, m-chlorobenzoyl hydroperoxide, m-chloroperbenzoic acid, m-chloroperoxybenzoic acid, mcpba, meta-chloroperbenzoic acid, meta-chloroperoxybenzoic acid PubChem CID: 70297 ChEBI: CHEBI:52091 IUPAC Name: 3-chlorobenzenecarboperoxoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)OO

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: 3-chloro-benzoic acid, 3-chlorobenzoicacid, acido m-clorobenzoico, benzoic acid, 3-chloro, benzoic acid, m-chloro, ccris 5992, m-chlorobenzoate, m-chlorobenzoic acid, mcba, unii-02uoj7064k PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O

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: 2,6-dimethoxy-3-bromobenzoic acid, acmc-1bfe7, benzoic acid, 3-bromo-2,6-dimethoxy, benzoic acid,3-bromo-2,6-dimethoxy, maybridge1_001596 PubChem CID: 2774744 IUPAC Name: 3-bromo-2,6-dimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)Br)OC)C(=O)O

5-Chloro-2-methoxybenzoic Acid 98.0+%, TCI America™

CAS: 3438-16-2 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00017546 InChI Key: HULDRQRKKXRXBI-UHFFFAOYSA-N Synonym: 2-carboxy-4-chloroanisole, 2-methoxy-5-chlorobenzoic acid, 5-chloro-2-anisic acid, 5-chloro-2-methoxy-benzoate, 5-chloro-2-methoxy-benzoic acid, 5-chloro-2-methoxybenzoicacid, 5-chloro-methoxybenzoic acid, 5-chloro-o-anisic acid, benzoic acid, 5-chloro-2-methoxy, pubchem2680 PubChem CID: 76970 IUPAC Name: 5-chloro-2-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)Cl)C(=O)O

3-Bromo-5-chlorobenzoic Acid 98.0+%, TCI America™

CAS: 42860-02-6 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD06797227 InChI Key: PBRRUJWXRUGGAW-UHFFFAOYSA-N PubChem CID: 33128 IUPAC Name: 3-bromo-5-chlorobenzoic acid SMILES: C1=C(C=C(C=C1Cl)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-carboxy-5-chloro-alpha,alpha,alpha-trifluoroanisole, 3-chloro-5-trifluoromethoxy benzoic acid, 3-chloro-5-trifluoromethoxy-benzoic acid, 5-chloro-3-trifluoromethoxy benzoic acid, acmc-20an6h, benzoic acid, 3-chloro-5-trifluoromethoxy 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™ 2,5-Difluorobenzamide, 98%

CAS: 85118-03-2 Molecular Formula: C7H5F2NO Molecular Weight (g/mol): 157.12 MDL Number: MFCD00015548 InChI Key: BJKWHAILFUUIRT-UHFFFAOYSA-N Synonym: #, 2,5-bis fluoranyl benzamide, 3,6-difluorobenzamide, acmc-209q4m, benzamide, 2,5-difluoro, benzamide,2,5-difluoro PubChem CID: 522831 IUPAC Name: 2,5-difluorobenzamide SMILES: C1=CC(=C(C=C1F)C(=O)N)F

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,4-methylbenzoic acid, 3-chloro-4-methyl benzoic acid, 3-chloro-4-methyl-benzoic acid, 3-chloro-p-toluic acid, 4-09-00-01743 beilstein handbook reference, acmc-1ayqf, benzoic acid, 3-chloro-4-methyl, ksc272s4h, p-toluic acid, 3-chloro, pubchem4569 PubChem CID: 78840 IUPAC Name: 3-chloro-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Cl

Methyl 5-Chloro-2-methoxybenzoate 97.0+%, TCI America™

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

Alfa Aesar™ Methyl 3,4-dichlorobenzoate, 97%

CAS: 2905-68-2 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00018165 InChI Key: WICGATIORFSOJL-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzoic acid methyl ester, acmc-1ch33, benzoic acid, 3,4-dichloro-, methyl ester, benzoic acid,3,4-dichloro-, methyl ester, benzoic acid,4-dichloro-, methyl ester, methyl 3,4-bis chloranyl benzoate, methyl 3,4-dichlorobenzenecarboxylate, methyldichlorobenzenecarboxylate PubChem CID: 76193 IUPAC Name: methyl 3,4-dichlorobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)Cl)Cl

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, 3,5-difluoro-2-methylbenzoic acid, jrd, 3,5-difluoro-2-methylbenzoicacid, 3,5-difluoro-2-methylbethylbenzoic acid, pubchem8242 PubChem CID: 20111761 IUPAC Name: 3,5-difluoro-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1C(=O)O)F)F

3-Fluorobenzoic Acid 98.0+%, TCI America™

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

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-carboxy-5-fluorotoluene, 3-fluoro-5-methybenzoic acid, 3-fluoro-5-methyl benzoic acid, 3-fluoro-5-methyl-benzoic acid, 3-fluoro-5-methylbenzoicacid, acmc-1b05f, benzoic acid, 3-fluoro-5-methyl, ksc498a8l, pubchem1396, rarechem al bo 2238 PubChem CID: 2778447 IUPAC Name: 3-fluoro-5-methylbenzoic acid SMILES: CC1=CC(=CC(=C1)C(=O)O)F

Alfa Aesar™ Methyl 3-chlorobenzoate, 98%

CAS: 2905-65-9 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00000592 InChI Key: XRDRKVPNHIWTBX-UHFFFAOYSA-N Synonym: 3-chloro-benzoic acid methyl ester, 3-chlorobenzoic acid methyl, 3-chlorobenzoic acid methyl ester, acmc-1cegg, benzoic acid, 3-chloro-, methyl ester, benzoic acid, m-chloro-, methyl ester, dsstox_cid_7507, m-chlorobenzoic acid methyl ester, methyl m-chlorobenzoate, methyl-3-chlorobenzoate PubChem CID: 17946 IUPAC Name: methyl 3-chlorobenzoate SMILES: COC(=O)C1=CC(=CC=C1)Cl

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, acmc-209gbv, benzoic acid, 3-bromo-, ethyl ester, benzoic acid, m-bromo-, ethyl ester, ethyl 3-bromobenzoate, ethyl-3-bromobenzoate, ethyl3-bromobenzoate, m-bromo benzoic acid ethyl ester, m-bromobenzoic acid, ethyl ester, pubchem3941 PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br

3-Bromobenzohydrazide 98.0+%, TCI America™

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

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: 3-carboxyiodobenzene, 3-iodo benzoic acid, 3-iodo-benzoic acid, 3-iodobenzoicacid, acmc-209mwv, benzoic acid, 3-iodo, benzoic acid, m-iodo, m-iodobenzoic acid, meta-carboxy iodo-benzene, pubchem3925 PubChem CID: 12060 IUPAC Name: 3-iodobenzoic acid SMILES: C1=CC(=CC(=C1)I)C(=O)O

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 benzeneboronic acid, 2-chloro-4-methylcarbamoyl phenyl boronic acid, 2-chloro-4-methylcarbamoyl phenylboronic 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

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