3-halobenzoic acids and derivatives

Ethyl 2,3,4,5-Tetrafluorobenzoate 98.0+%, TCI America™

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-tetrafluoro-benzoic acid ethyl ester PubChem CID: 2774395 IUPAC Name: ethyl 2,3,4,5-tetrafluorobenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1F)F)F)F

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

CAS: 79669-50-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD09839555 InChI Key: FDCYLMYCHALQJR-UHFFFAOYSA-N Synonym: 5-bromo-2-methyl-benzoic acid methyl ester PubChem CID: 316201 IUPAC Name: methyl 5-bromo-2-methylbenzoate SMILES: CC1=C(C=C(C=C1)Br)C(=O)OC

Alfa Aesar™ 3-Bromo-5-fluorobenzoic acid, 97%

CAS: 176548-70-2 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD01569540 InChI Key: KLSLJMGWUPAQGZ-UHFFFAOYSA-N Synonym: 3-bromo-5-fluoro benzoic acid PubChem CID: 2773339 IUPAC Name: 3-bromo-5-fluorobenzoic acid SMILES: C1=C(C=C(C=C1F)Br)C(=O)O

Alfa Aesar™ 5-Chloro-2-fluorobenzoyl chloride, 97%

CAS: 394-29-6 Molecular Formula: C7H3Cl2FO Molecular Weight (g/mol): 192.998 MDL Number: MFCD01631433 InChI Key: VWGAATKTEAKOCO-UHFFFAOYSA-N Synonym: 2-fluoro-5-chlorobenzoyl chloride PubChem CID: 2773604 IUPAC Name: 5-chloro-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Cl)C(=O)Cl)F

Methyl 3-Bromo-2-methylbenzoate 98.0+%, TCI America™

CAS: 99548-54-6 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD09031772 InChI Key: MKQQTCSBXHAYQL-UHFFFAOYSA-N Synonym: 3-Bromo-2-methylbenzoic Acid Methyl Ester, Methyl 3-Bromo-o-toluate, 3-Bromo-o-toluic Acid Methyl Ester PubChem CID: 12929135 IUPAC Name: methyl 3-bromo-2-methylbenzoate SMILES: CC1=C(C=CC=C1Br)C(=O)OC

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 PubChem CID: 17944 IUPAC Name: 2,3-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl

Alfa Aesar™ 2-Bromo-5-fluorobenzamide, 96%

CAS: 1006-34-4 Molecular Formula: C7H5BrFNO Molecular Weight (g/mol): 218.025 MDL Number: MFCD03094322 InChI Key: OCKACIBALIJPNT-UHFFFAOYSA-N Synonym: acmc-1br05 PubChem CID: 2778464 IUPAC Name: 2-bromo-5-fluorobenzamide SMILES: C1=CC(=C(C=C1F)C(=O)N)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

Alfa Aesar™ 2-Chloro-5-fluorobenzamide, 97+%

CAS: 88487-25-6 Molecular Formula: C7H5ClFNO Molecular Weight (g/mol): 173.571 MDL Number: MFCD01631465 InChI Key: UKUUZRYASPJJOI-UHFFFAOYSA-N Synonym: 2-carbamoyl-4-fluorochlorobenzene PubChem CID: 2773590 IUPAC Name: 2-chloro-5-fluorobenzamide SMILES: C1=CC(=C(C=C1F)C(=O)N)Cl

5-Chloro-2-nitrobenzamide 90.0+%, TCI America™

CAS: 40763-96-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 InChI Key: MKHXTOPPKVFSFI-UHFFFAOYSA-N Synonym: 2-carbamoyl-4-chloronitrobenzene PubChem CID: 2723672 IUPAC Name: 5-chloro-2-nitrobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)[N+](=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: 3-chloro-benzoic acid PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O

Alfa Aesar™ 3-Chlorobenzoic acid, 97%

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

3,5-Dichlorobenzoyl Chloride 95.0+%, TCI America™

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™ 5-Chloro-2-fluorobenzamide, 97+%

CAS: 261762-57-6 Molecular Formula: C7H5ClFNO Molecular Weight (g/mol): 173.571 MDL Number: MFCD01631435 InChI Key: VTSILFLCXIRODM-UHFFFAOYSA-N Synonym: 2-fluoro-5-chlorobenzamide PubChem CID: 2773592 IUPAC Name: 5-chloro-2-fluorobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)F

Alfa Aesar™ 3-Chloro-N-methylbenzamide, 97%

CAS: 18370-10-0 Molecular Formula: C8H8ClNO Molecular Weight (g/mol): 169.608 MDL Number: MFCD01214034 InChI Key: WJJLGPQRUCWHKZ-UHFFFAOYSA-N Synonym: 3-chloro-n-methyl-benzamide PubChem CID: 4150792 IUPAC Name: 3-chloro-N-methylbenzamide SMILES: CNC(=O)C1=CC(=CC=C1)Cl

Methyl pentafluorobenzoate, 99%, Acros Organics™

CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.1 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: acmc-209inq PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(C(=C(C(=C1F)F)F)F)F

Alfa Aesar™ Ethyl 3-iodobenzoate, 99%

CAS: 58313-23-8 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD00044769 InChI Key: POGCXCWRMMXDAQ-UHFFFAOYSA-N Synonym: 3-iodobenzoic acid ethyl ester PubChem CID: 143542 IUPAC Name: ethyl 3-iodobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)I

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

3,5-Difluorobenzoic Acid 98.0+%, TCI America™

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™ 5-Fluoro-2-methylbenzoyl chloride, 98%

CAS: 21900-39-0 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD00236681 InChI Key: HBAQRSDZSVESSF-UHFFFAOYSA-N Synonym: 2-methyl-5-fluorobenzoyl chloride PubChem CID: 2737383 IUPAC Name: 5-fluoro-2-methylbenzoyl chloride SMILES: CC1=C(C=C(C=C1)F)C(=O)Cl

3-Fluoro-4-n-octyloxybenzoic Acid 97.0+%, TCI America™

CAS: 326-78-3 Molecular Formula: C15H21FO3 Molecular Weight (g/mol): 268.328 MDL Number: MFCD00191649 InChI Key: SQVFTDZEUGEJTQ-UHFFFAOYSA-N PubChem CID: 593523 IUPAC Name: 3-fluoro-4-octoxybenzoic acid SMILES: CCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F

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 PubChem CID: 182114 IUPAC Name: 5-fluoro-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)F)C(=O)O

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: 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

Methyl 3-Bromo-4-fluorobenzoate 98.0+%, TCI America™

CAS: 82702-31-6 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.036 MDL Number: MFCD00013763 InChI Key: JVORYGNKYAXATM-UHFFFAOYSA-N Synonym: 3-Bromo-4-fluorobenzoic Acid Methyl Ester PubChem CID: 7018022 IUPAC Name: methyl 3-bromo-4-fluorobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)F)Br

Alfa Aesar™ 5-Bromo-2-methylbenzoic acid, 97%

CAS: 79669-49-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00267350 InChI Key: SEENCYZQHCUTSB-UHFFFAOYSA-N Synonym: 2-methyl-5-bromobenzoic acid PubChem CID: 346004 IUPAC Name: 5-bromo-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)Br)C(=O)O

Alfa Aesar™ 3,5-Dibromobenzamide, 97%

CAS: 175205-85-3 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 MDL Number: MFCD00178771 InChI Key: IOFGMNBDIDEBIQ-UHFFFAOYSA-N Synonym: 3,5-bis bromanyl benzamide PubChem CID: 2735937 IUPAC Name: 3,5-dibromobenzamide SMILES: C1=C(C=C(C=C1Br)Br)C(=O)N

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 PubChem CID: 78840 IUPAC Name: 3-chloro-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Cl

3,5-Difluorobenzoyl Chloride 98.0+%, TCI America™

CAS: 129714-97-2 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.547 MDL Number: MFCD00010309 InChI Key: OYZWEOORLJBPMA-UHFFFAOYSA-N Synonym: 3,5-di-fluorobenzoyl chloride PubChem CID: 145600 IUPAC Name: 3,5-difluorobenzoyl chloride SMILES: C1=C(C=C(C=C1F)F)C(=O)Cl

Alfa Aesar™ Methyl 2,5-dichlorobenzoate, 99%

CAS: 2905-69-3 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00000606 InChI Key: SPJQBGGHUDNAIC-UHFFFAOYSA-N Synonym: 2,5-dcbme PubChem CID: 17947 IUPAC Name: methyl 2,5-dichlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Cl

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: # PubChem CID: 522831 IUPAC Name: 2,5-difluorobenzamide SMILES: C1=CC(=C(C=C1F)C(=O)N)F

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