4-halobenzoic acids and derivatives

Methyl 2-amino-4-chlorobenzoate, 95%, Acros Organics

CAS: 5900-58-3 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 InChI Key: YPSSCICDVDOEAI-UHFFFAOYSA-N Synonym: 2-amino-4-chloro-benzoic acid methyl ester PubChem CID: 80001 IUPAC Name: methyl 2-amino-4-chlorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)N

Alfa Aesar™ 4-Chloro-N,N-diisopropylbenzamide, 97%

CAS: 79606-45-4 Molecular Formula: C13H18ClNO Molecular Weight (g/mol): 239.743 MDL Number: MFCD00032340 InChI Key: MGPPJDHMGGQMSG-UHFFFAOYSA-N Synonym: 4-chloro-n,n-bis propan-2-yl benzamide PubChem CID: 241026 IUPAC Name: 4-chloro-N,N-di(propan-2-yl)benzamide SMILES: CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)Cl

Methyl 4-Chloro-3-methylbenzoate 98.0+%, TCI America™

CAS: 91367-05-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00151838 InChI Key: QOTGNXMPQNGYDM-UHFFFAOYSA-N Synonym: 4-chloro-3-methylbenzoic acid methyl ester, benzoic acid, 4-chloro-3-methyl-, methyl ester, pubchem3710, acmc-209r8w, 2-chloro-5-methoxycarbonyl toluene, methyl 4-chloranyl-3-methyl-benzoate, 4-chloro-m-toluic acid methyl ester, 4-chloro-3-methylbenzoic acid, methyl ester PubChem CID: 7015786 IUPAC Name: methyl 4-chloro-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Cl

4-Chloro-2-iodobenzoic Acid 98.0+%, TCI America™

CAS: 13421-13-1 Molecular Formula: C7H4ClIO2 Molecular Weight (g/mol): 282.461 MDL Number: MFCD00060676 InChI Key: LRRDANNSUCQNDU-UHFFFAOYSA-N Synonym: 4-chloro-2-iodobenzoicacid, 2-iodo-4-chlorobenzoic acid, 4-chloro-2-iodo-benzoic acid, benzoic acid, 4-chloro-2-iodo, buttpark 100\07-49, pubchem4018, acmc-209bu6, ksc519a3p, benzoic acid,4-chloro-2-iodo, 4-chloro-2-iodobenzoic acid PubChem CID: 139452 IUPAC Name: 4-chloro-2-iodobenzoic acid SMILES: C1=CC(=C(C=C1Cl)I)C(=O)O

Alfa Aesar™ 4-Chloro-2-(trifluoromethoxy)benzoic acid, 97%

CAS: 1261605-70-2 Molecular Formula: C8H4ClF3O3 Molecular Weight (g/mol): 240.562 MDL Number: MFCD18393801 InChI Key: SSORZLDIKSZDTH-UHFFFAOYSA-N Synonym: 4-chloro-2-trifluoromethoxy benzoic acid PubChem CID: 66523556 IUPAC Name: 4-chloro-2-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1Cl)OC(F)(F)F)C(=O)O

Alfa Aesar™ Ethyl 4-iodobenzoate, 98%

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 2-chloro-4-fluorobenzoate, 97%

CAS: 85953-29-3 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.582 MDL Number: MFCD00173937 InChI Key: YZDLPZNWBRBZMZ-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-benzoic acid methyl ester PubChem CID: 2763551 IUPAC Name: methyl 2-chloro-4-fluorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)Cl

Alfa Aesar™ N-Cyclohexyl-4-fluorobenzamide, 97%

CAS: 2342-50-9 Molecular Formula: C13H16FNO Molecular Weight (g/mol): 221.275 MDL Number: MFCD00544070 InChI Key: STPFPZKUYANAOR-UHFFFAOYSA-N Synonym: benzamide, n-cyclohexyl-4-fluoro PubChem CID: 2305489 IUPAC Name: N-cyclohexyl-4-fluorobenzamide SMILES: C1CCC(CC1)NC(=O)C2=CC=C(C=C2)F

Alfa Aesar™ 4-Chloro-2-fluoro-3-methoxybenzoyl chloride, 97%

CAS: 1323966-24-0 Molecular Formula: C8H5Cl2FO2 Molecular Weight (g/mol): 223.024 MDL Number: MFCD19687205 InChI Key: FPFZZDWTMMQEHB-UHFFFAOYSA-N PubChem CID: 66523535 IUPAC Name: 4-chloro-2-fluoro-3-methoxybenzoyl chloride SMILES: COC1=C(C=CC(=C1F)C(=O)Cl)Cl

Alfa Aesar™ 4-Chloro-N,N-diisopropyl-3-nitrobenzamide, 97%

CAS: 352443-08-4 Molecular Formula: C13H17ClN2O3 Molecular Weight (g/mol): 284.74 MDL Number: MFCD00586913 InChI Key: HGKGYXFSDLNRFZ-UHFFFAOYSA-N Synonym: 4-chloro-3-nitro-n,n-di propan-2-yl benzamide PubChem CID: 5106234 IUPAC Name: 4-chloro-3-nitro-N,N-di(propan-2-yl)benzamide SMILES: CC(C)N(C(C)C)C(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Alfa Aesar™ 2-Chloro-5-(2,5-dichlorophenylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449132-57-3 Molecular Formula: C13H9BCl3NO3 Molecular Weight (g/mol): 344.379 MDL Number: MFCD22125068 InChI Key: LGHQYAUSSYHBTK-UHFFFAOYSA-N Synonym: 2-chloro-5-2,5-dichlorophenyl carbamoyl phenylboronic acid PubChem CID: 73995808 IUPAC Name: [2-chloro-5-[(2,5-dichlorophenyl)carbamoyl]phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl)(O)O

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

Alfa Aesar™ 2-Fluoro-5-(4-morpholinylcarbonyl)benzeneboronic acid, 97%

CAS: 1072951-41-7 Molecular Formula: C11H13BFNO4 Molecular Weight (g/mol): 253.036 MDL Number: MFCD11504847 InChI Key: PGPWWCUYTSKDEA-UHFFFAOYSA-N Synonym: 2-fluoro-5-4-morpholinylcarbonyl benzeneboronic acid PubChem CID: 46738991 IUPAC Name: [2-fluoro-5-(morpholine-4-carbonyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)N2CCOCC2)F)(O)O

Alfa Aesar™ 3,4-Dichlorobenzamide, 97%

CAS: 2670-38-4 Molecular Formula: C7H5Cl2NO Molecular Weight (g/mol): 190.023 MDL Number: MFCD00053009 InChI Key: XURBWYCGQQXTHJ-UHFFFAOYSA-N Synonym: 3,4-bis chloranyl benzamide PubChem CID: 137671 IUPAC Name: 3,4-dichlorobenzamide SMILES: C1=CC(=C(C=C1C(=O)N)Cl)Cl

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™ 4-Chloro-N-ethylbenzamide, 97%

CAS: 26930-17-6 Molecular Formula: C9H10ClNO Molecular Weight (g/mol): 183.635 MDL Number: MFCD00871156 InChI Key: TXRYLYLDCHDRSJ-UHFFFAOYSA-N Synonym: 4-chloro-n-ethyl-benzamide PubChem CID: 101292 IUPAC Name: 4-chloro-N-ethylbenzamide SMILES: CCNC(=O)C1=CC=C(C=C1)Cl

2,3,4,5-Tetrafluorobenzoyl Chloride 97.0+%, TCI America™

CAS: 94695-48-4 Molecular Formula: C7HClF4O Molecular Weight (g/mol): 212.528 MDL Number: MFCD00075164 InChI Key: XWCKIXLTBNGIHV-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluorobenzoylchloride, tetrafluorobenzoyl chloride, 2,3,4,5-tetrafluoro benzoyl chloride, benzoyl chloride, 2,3,4,5-tetrafluoro, 2,3,4,5-tetrafluorbenzoylchlorid, 2,3,4,5-tetrafluoro-benzoyl chloride, 2,3,4,5-tetrafluorobenzoic acid chloride, 2,3,4,5-tetrafluorobezoyl chloride, benzoyl chloride, 2,3,4,5-tetrafluoro-9ci, 2,3,4,5-tetrafluorobezoylchloride PubChem CID: 2733689 IUPAC Name: 2,3,4,5-tetrafluorobenzoyl chloride SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)Cl

4-Iodobenzoyl chloride, 98%, Acros Organics

CAS: 1711-02-0 Molecular Formula: C7H4ClIO Molecular Weight (g/mol): 266.46 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

4-Fluorobenzoyl Chloride 97.0+%, TCI America™

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro, p-fluorobenzoyl chloride, benzoyl chloride, p-fluoro, p-fluorobenzoic acid chloride, 4-fluorobenzoylchloride, fluorobenzoyl 4-chloride, 4-fluorobenzoic acid chloride, p-fluorobenzoylchloride, p-fluorobenzoyl choride, 4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

4-Fluorobenzohydrazide 98.0+%, TCI America™

CAS: 456-06-4 Molecular Formula: C7H7FN2O Molecular Weight (g/mol): 154.144 InChI Key: UIVXXFYJRYVRKJ-UHFFFAOYSA-N Synonym: 4-fluorobenzhydrazide, 4-fluorobenzoic hydrazide, p-fluorobenzoic acid hydrazide, p-fluorobenzoylhydrazine, 4-fluorobenzoic acid hydrazide, hydrazine, p-fluorobenzoyl, 4-fluoro benzoyl hydrazine, benzoic acid, p-fluoro-, hydrazide, 4-fluorobenzenecarbohydrazide, 4-fluoro-benzoic acid hydrazide PubChem CID: 9972 IUPAC Name: 4-fluorobenzohydrazide SMILES: C1=CC(=CC=C1C(=O)NN)F

Pentafluorobenzamide 99.0+%, TCI America™

CAS: 652-31-3 Molecular Formula: C7H2F5NO Molecular Weight (g/mol): 211.091 MDL Number: MFCD00007971 InChI Key: WPWWHXPRJFDTTJ-UHFFFAOYSA-N Synonym: pentafluorobenzamide, benzamide, 2,3,4,5,6-pentafluoro, benzamide, pentafluoro, 2,3,4,5,6-pentafluoro-benzamide, acmc-209nq0, benzamide,3,4,5,6-pentafluoro, benzamide,2,3,4,5,6-pentafluoro PubChem CID: 69547 IUPAC Name: 2,3,4,5,6-pentafluorobenzamide SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N

Alfa Aesar™ N-Benzyl-4-chloro-N-phenylbenzamide, 97%

CAS: 701918-26-5 Molecular Formula: C20H16ClNO Molecular Weight (g/mol): 321.804 MDL Number: MFCD06251246 InChI Key: LDDXRNJXGXWUQJ-UHFFFAOYSA-N Synonym: 4-chlorophenyl-n-phenyl-n-benzylcarboxamide PubChem CID: 20787883 IUPAC Name: N-benzyl-4-chloro-N-phenylbenzamide SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

Alfa Aesar™ N-n-Butyl-4-chloro-3-nitrobenzamide, 97%

CAS: 59320-12-6 Molecular Formula: C11H13ClN2O3 Molecular Weight (g/mol): 256.686 MDL Number: MFCD01182368 InChI Key: YVBGUSUYCUSCBC-UHFFFAOYSA-N Synonym: n-butyl 4-chloro-3-nitrophenyl carboxamide PubChem CID: 1722534 IUPAC Name: N-butyl-4-chloro-3-nitrobenzamide SMILES: CCCCNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Alfa Aesar™ 4-Bromo-2-methylbenzoic acid, 98+%

CAS: 68837-59-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00040905 InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N Synonym: 2-methyl-4-bromobenzoic acid PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O

3,4-Difluorobenzoic Acid 98.0+%, TCI America™

CAS: 455-86-7 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00011672 InChI Key: FPENCTDAQQQKNY-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-difluoro, 3,4-fifluorobenzoic acid, 3,4-difluoro-benzoic acid, 3,4-dichloropnenol, pubchem1337, acmc-209k3h, 3,4-difluoro benzoic acid, ksc237g8t, rarechem al bo 0269, timtec-bb sbb006721 PubChem CID: 99166 IUPAC Name: 3,4-difluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)F

Methyl 2-Chloro-4-fluorobenzoate 98.0+%, TCI America™

CAS: 85953-29-3 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.582 MDL Number: MFCD00173937 InChI Key: YZDLPZNWBRBZMZ-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzoic acid methyl ester, methyl 2-chloro-4-fluorobenzenecarboxylate, benzoic acid, 2-chloro-4-fluoro-, methyl ester, 2-chloro-4-fluoro-benzoic acid methyl ester, pubchem18760, rarechem al bf 0289, acmc-209q7x, ksc495c1p, methyl 2-chloro-4-fluorob..., methy 2-chloro-4-fluorobenzoate PubChem CID: 2763551 IUPAC Name: methyl 2-chloro-4-fluorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)Cl

Alfa Aesar™ 4-Bromo-2-fluorobenzamide, 96%

CAS: 292621-45-5 Molecular Formula: C7H5BrFNO Molecular Weight (g/mol): 218.025 MDL Number: MFCD03094432 InChI Key: MJDRFCPNHLHNON-UHFFFAOYSA-N Synonym: 4-bromo-2-fluoro-benzamide PubChem CID: 2773331 IUPAC Name: 4-bromo-2-fluorobenzamide SMILES: C1=CC(=C(C=C1Br)F)C(=O)N

Ethyl 4-fluorobenzoate, 99%, Acros Organics

CAS: 451-46-7 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 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

Alfa Aesar™ 4-Bromo-3,5-difluorobenzoic acid, 96%

CAS: 651027-00-8 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD18917156 InChI Key: NLLRAEQVOZOSBB-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-bromobenzoic acid PubChem CID: 11424897 IUPAC Name: 4-bromo-3,5-difluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)Br)F)C(=O)O

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

CAS: 1323966-26-2 Molecular Formula: C9H9ClFNO2 Molecular Weight (g/mol): 217.624 MDL Number: MFCD19687217 InChI Key: GZFQGYBTUBVMAM-UHFFFAOYSA-N PubChem CID: 66523587 IUPAC Name: 4-chloro-3-ethoxy-2-fluorobenzamide SMILES: CCOC1=C(C=CC(=C1F)C(=O)N)Cl

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