4-halobenzoic acids and derivatives

Alfa Aesar™ Diatrizoic acid

CAS: 117-96-4 Molecular Formula: C11H9I3N2O4 Molecular Weight (g/mol): 613.916 MDL Number: MFCD00069960 InChI Key: YVPYQUNUQOZFHG-UHFFFAOYSA-N Synonym: amidotrizoate PubChem CID: 2140 ChEBI: CHEBI:53691 IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I

4-Bromobenzoic acid, 97%, ACROS Organics™

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: 4-brom-benzoesaeure PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

4-Fluoro-3-formyl-benzoic acid, 97%, Maybridge

CAS: 845885-90-7 Molecular Formula: C8H5FO3 Molecular Weight (g/mol): 168.123 InChI Key: SKPWEADPCJMLID-UHFFFAOYSA-N Synonym: 3-formyl-4-fluorobenzoic acid PubChem CID: 2794818 IUPAC Name: 4-fluoro-3-formylbenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)C=O)F

Alfa Aesar™ Methyl 4-iodo-2-methoxybenzoate, 98+%

CAS: 148490-97-5 Molecular Formula: C9H9IO3 Molecular Weight (g/mol): 292.072 MDL Number: MFCD06797865 InChI Key: MCNOTXROWOGSGU-UHFFFAOYSA-N Synonym: 2-methoxy-4-iodo-benzoic acid methyl ester PubChem CID: 22619468 IUPAC Name: methyl 4-iodo-2-methoxybenzoate SMILES: COC1=C(C=CC(=C1)I)C(=O)OC

Alfa Aesar™ 2,3,4,6-Tetrafluorobenzoyl chloride, 98%

CAS: 123016-51-3 Molecular Formula: C7HClF4O Molecular Weight (g/mol): 212.528 MDL Number: MFCD03001171 InChI Key: UYKQDVFTGGRFEQ-UHFFFAOYSA-N Synonym: 2,3,4,6-tetrafluorobenzoylchloride PubChem CID: 2783276 IUPAC Name: 2,3,4,6-tetrafluorobenzoyl chloride SMILES: C1=C(C(=C(C(=C1F)F)F)C(=O)Cl)F

4-Fluorobenzoyl Chloride 98%, ACROS Organics™

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: 4-fluorobenzoic acid chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

Alfa Aesar™ Furosemide, 97+%

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.739 MDL Number: MFCD00010549 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: aisemide PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Alfa Aesar™ 4-Bromobenzoic acid, 98+%

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: 4-brom-benzoesaeure PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

4-Bromobenzoyl Chloride 98.0+%, TCI America™

CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00000683 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: 4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)Br

Pentafluorobenzoyl chloride, 98%, ACROS Organics™

CAS: 2251-50-5 Molecular Formula: C7ClF5O Molecular Weight (g/mol): 230.52 InChI Key: MYHOHFDYWMPGJY-UHFFFAOYSA-N Synonym: 67924-15-6 unspecified acetate PubChem CID: 75256 ChEBI: CHEBI:39425 IUPAC Name: 2,3,4,5,6-pentafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl

4-Bromobenzoic Acid 98.0+%, TCI America™

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: 4-brom-benzoesaeure PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

GSK 3787, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 188591-46-0 Molecular Formula: C15H12ClF3N2O3S Molecular Weight (g/mol): 392.777 InChI Key: JFUIMTGOQCQTPF-UHFFFAOYSA-N Synonym: 4-chloro-n-2-5-trifluoromethyl pyridin-2-yl sulfonylethyl benzamide PubChem CID: 2800647 IUPAC Name: 4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide SMILES: C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)Cl

PF 04418948, Tocris Bioscience™

CAS: 1078166-57-0 Molecular Formula: C23H20FNO5 Molecular Weight (g/mol): 409.413 InChI Key: LWJGMYMNSNVCEM-UHFFFAOYSA-N Synonym: 1-4-fluorobenzoyl-3-6-methoxy-2-naphthalenyl oxy methyl-3-azetidinecarboxylic acid PubChem CID: 25114442 IUPAC Name: 1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid SMILES: COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O

Ethyl 4-Iodobenzoate 98.0+%, TCI America™

CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 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™ Methyl 4-chlorobenzoate, 99%

CAS: 1126-46-1 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00000621 InChI Key: LXNFVVDCCWUUKC-UHFFFAOYSA-N Synonym: 4-chloro-benzoic acid methyl ester PubChem CID: 14307 IUPAC Name: methyl 4-chlorobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Cl

Alfa Aesar™ Methyl 4-bromobenzoate, 98+%

CAS: 619-42-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 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-Bromobenzoyl chloride, 98%, ACROS Organics™

CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: 4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)Br

4-Chlorobenzoic Acid 99.0+%, TCI America™

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

ICA 110381, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 325457-99-6 Molecular Formula: C12H8Cl2N2O Molecular Weight (g/mol): 267.109 InChI Key: FOYOGIUAMYSVIT-UHFFFAOYSA-N Synonym: 4-chloro-n-6-chloro-3-pyridinyl benzamide PubChem CID: 4314115 IUPAC Name: 4-chloro-N-(6-chloropyridin-3-yl)benzamide SMILES: C1=CC(=CC=C1C(=O)NC2=CN=C(C=C2)Cl)Cl

Alfa Aesar™ Ethyl 4-fluorobenzoate, 99%

CAS: 451-46-7 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00000351 InChI Key: UMPRJGKLMUDRHL-UHFFFAOYSA-N Synonym: 4-fluoro-benzoic acid ethyl ester PubChem CID: 67976 IUPAC Name: ethyl 4-fluorobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)F

Pentafluorobenzoic acid, 99%, Acros Organics™

CAS: 602-94-8 Molecular Formula: C7HF5O2 Molecular Weight (g/mol): 212.075 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzoicacid PubChem CID: 11770 ChEBI: CHEBI:46796 IUPAC Name: 2,3,4,5,6-pentafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)O

4-Chlorobenzoic Acid 99%, ACROS Organics™

CAS: 74-11-3 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 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™ 2-Bromo-4-fluorobenzoic acid, 98%

CAS: 1006-41-3 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00055370 InChI Key: RRKPMLZRLKTDQV-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorbenzoic acid PubChem CID: 1268169 IUPAC Name: 2-bromo-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)Br)C(=O)O

Methyl 4-Bromo-2-methoxybenzoate 98.0+%, TCI America™

CAS: 139102-34-4 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.072 MDL Number: MFCD06797867 InChI Key: WPGAGRPPDYAZAD-UHFFFAOYSA-N Synonym: 4-bromo-2-methoxybenzoate 98 PubChem CID: 15128242 IUPAC Name: methyl 4-bromo-2-methoxybenzoate SMILES: COC1=C(C=CC(=C1)Br)C(=O)OC

Furosemide, 97+%, Acros Organics

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.74 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: aisemide PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

4-Chlorobenzoyl chloride, 99+%, ACROS Organics™

CAS: 122-01-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 InChI Key: RKIDDEGICSMIJA-UHFFFAOYSA-N Synonym: 4-chloro benzoyl chloride PubChem CID: 8501 ChEBI: CHEBI:60716 IUPAC Name: 4-chlorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)Cl

Alfa Aesar™ 4-Fluoro-N-phenylbenzamide, 97%

CAS: 366-63-2 Molecular Formula: C13H10FNO Molecular Weight (g/mol): 215.227 MDL Number: MFCD00055240 InChI Key: FIEGRQABVBXYQT-UHFFFAOYSA-N Synonym: 4-fluoro-n-phenyl-benzamide PubChem CID: 96095 IUPAC Name: 4-fluoro-N-phenylbenzamide SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F

Alfa Aesar™ 2,4-Difluorobenzoic acid, 98%

CAS: 1583-58-0 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00011670 InChI Key: NJYBIFYEWYWYAN-UHFFFAOYSA-N Synonym: 2 4-difluorobenzoic acid PubChem CID: 74102 IUPAC Name: 2,4-difluorobenzoic acid SMILES: C1=CC(=C(C=C1F)F)C(=O)O

Alfa Aesar™ 4-Fluorobenzoic acid, 98%

CAS: 456-22-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: 4-fluoro-benzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F

4-Fluorobenzoic acid, 99%, ACROS Organics™

CAS: 456-22-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: 4-fluoro-benzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F

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