4-halobenzoic acids and derivatives

Pentafluorobenzoyl chloride, 98%, ACROS Organics™

CAS: 2251-50-5 Molecular Formula: C7ClF5O Molecular Weight (g/mol): 230.52 InChI Key: MYHOHFDYWMPGJY-UHFFFAOYSA-N Synonym: pentafluorobenzoyl chloride, perfluorobenzoyl chloride, benzoyl chloride, pentafluoro, pentafluorobenzoylchloride, pubchem15522, acmc-1covi, intermediates-zcf02601, pentafluorobenzoic acid chloride, attercop-chm at133861, 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

Alfa Aesar™ 4-Chlorobenzoyl chloride, 98%

CAS: 122-01-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00000686 InChI Key: RKIDDEGICSMIJA-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-chloro, p-chlorobenzoyl chloride, para-chlorobenzoyl chloride, 4-chlorobenzoic acid chloride, 4-chlorobenzoylchloride, 4-chloro benzoyl chloride, benzoylchloride, 4-chloro, benzoyl chloride, p-chloro, ccris 8935, pcboc PubChem CID: 8501 ChEBI: CHEBI:60716 IUPAC Name: 4-chlorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)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-fluorobenzoic acid ethyl ester, ethyl p-fluorobenzoate, benzoic acid, 4-fluoro-, ethyl ester, p-fluorobenzoic acid, ethyl ester, ethyl4-fluorobenzoate, 4-fluoro-benzoic acid ethyl ester, benzoic acid, p-fluoro-, ethyl ester, ethyep-fluorobenzoate, pubchem3471, ethyl-4-fluorobenzoate PubChem CID: 67976 IUPAC Name: ethyl 4-fluorobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)F

Alfa Aesar™ 4-Bromophthalic acid, 98%

CAS: 6968-28-1 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.028 MDL Number: MFCD00043538 InChI Key: AZXKGUVDIORSED-UHFFFAOYSA-N Synonym: 4-bromophthalicacid, 4-bromobenzene-1,2-dicarboxylic acid, 1,2-benzenedicarboxylic acid, 4-bromo, zlchem 539, 5-bromo-phthalic acid, acmc-209oah, #, 4-bromo-1,2-benzenedicarboxylic acid, 1,2-benzenedicarboxylicacid, 4-bromo, 4-bromobenzene-1,2-dioic acid PubChem CID: 81428 IUPAC Name: 4-bromophthalic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)C(=O)O

Ethyl 4-iodobenzoate, 97%, ACROS Organics™

CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.05 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: p-iodobenzoic acid ethyl ester, 4-iodobenzoic acid ethyl ester, ethyl p-iodobenzoate, ethyl-4-iodobenzoate, benzoicacid,4-iodo-,ethylester, 4-iodo-benzoic acid ethyl ester, benzoic acid, 4-iodo-, ethyl ester, ethyl4-iodobenzoate, ethyl-4 iodobenzoate, ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)I

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, n-cyclohexyl 4-fluorophenyl carboxamide PubChem CID: 2305489 IUPAC Name: N-cyclohexyl-4-fluorobenzamide SMILES: C1CCC(CC1)NC(=O)C2=CC=C(C=C2)F

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

CAS: 1017779-91-7 Molecular Formula: C9H9F2NO2 Molecular Weight (g/mol): 201.173 MDL Number: MFCD09258725 InChI Key: SQCQKFZIDMTPGR-UHFFFAOYSA-N Synonym: 3-ethoxy-2,4-difluorobenzamide, jrd PubChem CID: 46737642 IUPAC Name: 3-ethoxy-2,4-difluorobenzamide SMILES: CCOC1=C(C=CC(=C1F)C(=O)N)F

Alfa Aesar™ 2-Chloro-4,5-difluorobenzoic acid, 98%

CAS: 110877-64-0 Molecular Formula: C7H3ClF2O2 Molecular Weight (g/mol): 192.546 MDL Number: MFCD00077479 InChI Key: CGFMLBSNHNWJAW-UHFFFAOYSA-N Synonym: 2-chloro-4,5-difluoro-benzoic acid, 2'-chloro-4',5'-difluorobenzoic acid, benzoic acid, 2-chloro-4,5-difluoro, pubchem1339, ksc177o4l, rarechem al bo 1000, timtec-bb sbb003616, 2-chloro-4,5-difluorobenzoic acid, benzoicacid, 2-chloro-4,5-difluoro PubChem CID: 737171 IUPAC Name: 2-chloro-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Cl)C(=O)O

Alfa Aesar™ 4-Fluorobenzamide, 98%

CAS: 824-75-9 Molecular Formula: C7H6FNO Molecular Weight (g/mol): 139.129 MDL Number: MFCD00007992 InChI Key: VNDHYTGVCGVETQ-UHFFFAOYSA-N Synonym: p-fluorobenzamide, benzamide, 4-fluoro, benzamide, p-fluoro, p-fluorobenzoic acid amide, 4-fluoro-benzamide, unii-yb79f3xb1g, yb79f3xb1g, 4fluorobenzamide, 4-fluorobenzoamide, pubchem3407 PubChem CID: 71572 IUPAC Name: 4-fluorobenzamide SMILES: C1=CC(=CC=C1C(=O)N)F

Methyl 2,4-dichlorobenzoate, 97%, ACROS Organics™

CAS: 35112-28-8 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.04 MDL Number: MFCD00085117 InChI Key: VCRWILYAWSRHBN-UHFFFAOYSA-N Synonym: methyl2,4-dichlorobenzoate, 2,4-dichlorobenzoic acid methyl ester, benzoic acid, 2,4-dichloro-, methyl ester, methyl-2,4-dichlorobenzoate, pubchem3713, methyl ester of 2,4-dichlorobenzoic acid, acmc-209id8, ksc497m5b, methyl 2,4-dichloro benzoate PubChem CID: 37055 IUPAC Name: methyl 2,4-dichlorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)Cl

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: p-fluorobenzoic acid, benzoic acid, 4-fluoro, para-fluorobenzoic acid, 4-fluoro-benzoic acid, benzoic acid, p-fluoro, unii-v5roo2hou4, p-fluoro-benzoic acid, v5roo2hou4, 4-fluorobenzoatd, p-flurobenzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F

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: p-iodobenzoic acid ethyl ester, 4-iodobenzoic acid ethyl ester, ethyl p-iodobenzoate, ethyl-4-iodobenzoate, benzoicacid,4-iodo-,ethylester, 4-iodo-benzoic acid ethyl ester, benzoic acid, 4-iodo-, ethyl ester, ethyl4-iodobenzoate, ethyl-4 iodobenzoate, ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)I

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

CAS: 2252-51-9 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00010615 InChI Key: GRPWQLDSGNZEQE-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-4-fluoro, 2-chloro-4-fluoro-benzoic acid, 2-chloro-4-fluor obenzoic acid, pubchem1370, acmc-209fx5, ksc207e4n, rarechem al bo 0405, 2-chloro 4-fluoro benzoic acid, 2-chloro-4-fluoro benzoic acid, 4-fluoro-2-chloro-benzoic acid PubChem CID: 75259 IUPAC Name: 2-chloro-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)Cl)C(=O)O

Alfa Aesar™ 4-Bromo-2,6-difluorobenzoic acid, 98%

CAS: 183065-68-1 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD03094085 InChI Key: IRHPJGPQWZEZRX-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-bromobenzoic acid, benzoic acid, 4-bromo-2,6-difluoro, 4-bromo-2,6-difluoro-benzoic acid, 4-bromo-2,6-difluoro-benzoicacid, pubchem2476, acmc-1bx1y, ksc174k2f, rarechem al be 1306, benzoicacid, 4-bromo-2,6-difluoro, 4-bromo-2,6-difluorobenzoic acid PubChem CID: 2773298 IUPAC Name: 4-bromo-2,6-difluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)Br

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: XXFKOBGFMUIWDH-UHFFFAOYSA-N Synonym: 4-chloro-2-methylbenzoicacid, 4-chloro-o-toluic acid, benzoic acid, 4-chloro-2-methyl, 2-methyl-4-chlorobenzoic acid, 4-chloro-2-methyl-benzoic acid, pubchem4570, acmc-1bjnb, o-toluic acid, 4-chloro, ksc497q4r, 4-chloro-2-methylbenzoic acid PubChem CID: 348269 IUPAC Name: 4-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O

Alfa Aesar™ 3-Chloro-4-fluorobenzoic acid, 98%

CAS: 403-16-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042477 InChI Key: PKTSBFXIHLYGEY-UHFFFAOYSA-N Synonym: 4-fluoro-3-chlorobenzoic acid, 3-chloro-4-fluoro-benzoic acid, 4-fluoro-3-chlorobenzoyl acid, benzoic acid, 3-chloro-4-fluoro, 3-chloro-4-fluorobenzoicacid, 4-fluoro-3-chloro benzoyl acid, pubchem1334, acmc-209jcy, 3-chloro4-fluorobenzoic acid PubChem CID: 520989 IUPAC Name: 3-chloro-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)Cl)F

Alfa Aesar™ 4-Iodobenzoic acid, 97%

CAS: 619-58-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002533 InChI Key: GHICCUXQJBDNRN-UHFFFAOYSA-N Synonym: p-iodobenzoic acid, benzoic acid, 4-iodo, benzoic acid, p-iodo, 4-iodo-benzoic acid, p-iodobenzenecarboxylic acid, 4-jodbenzoesaeure, unii-ipo4lyq1en, 4-jodbenzoesaeure german, 4-iodo benzoic acid, ipo4lyq1en PubChem CID: 12085 IUPAC Name: 4-iodobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)I

Alfa Aesar™ 2-Fluoro-5-(2-methyl-1-piperidinylcarbonyl)benzeneboronic acid, 97%

CAS: 1449144-45-9 Molecular Formula: C13H17BFNO3 Molecular Weight (g/mol): 265.091 MDL Number: MFCD20265256 InChI Key: WUPGAFQQYJVDKA-UHFFFAOYSA-N Synonym: 2-fluoro-5-2-methyl-1-piperidinylcarbonyl benzeneboronic acid, 2-fluoro-5-2-methylpiperidine-1-carbonyl phenylboronic acid, 2-fluoro-5-2-methyl-1-piperidinylcarbonyl phenylboronic acid PubChem CID: 73995783 IUPAC Name: [2-fluoro-5-(2-methylpiperidine-1-carbonyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)N2CCCCC2C)F)(O)O

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™ 2,4,6-Trichlorobenzoyl chloride, 98%

CAS: 4136-95-2 Molecular Formula: C7H2Cl4O Molecular Weight (g/mol): 243.892 MDL Number: MFCD00075323 InChI Key: OZGSEIVTQLXWRO-UHFFFAOYSA-N Synonym: 2,4,6-trichlorobenzoylchloride, benzoyl chloride, 2,4,6-trichloro, mi, acmc-209jk3, ksc494s2p, 2,4,6-cl3c6h2cocl, 2,4,6-ttrichlorobenzoyl chloride, 2,4,6-trichloro benzoyl chloride, 2,4,6-trichlorobenzoic acid chloride, 2,4,6-tris chloranyl benzoyl chloride PubChem CID: 2733703 IUPAC Name: 2,4,6-trichlorobenzoyl chloride SMILES: C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl

Alfa Aesar™ Pentafluorobenzoic acid, 99%

CAS: 602-94-8 Molecular Formula: C7HF5O2 Molecular Weight (g/mol): 212.075 MDL Number: MFCD00002406 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonym: pentafluorobenzoic acid, perfluorobenzoic acid, benzoic acid, pentafluoro, benzoic acid, 2,3,4,5,6-pentafluoro, 2,3,4,5,6-pentafluorobenzoicacid, pubchem2320, acmc-1b1wz, 4-09-00-00956 beilstein handbook reference, ksc355e3b, rarechem al bo 0017 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

Alfa Aesar™ 4-Fluoro-3-(trifluoromethoxy)benzoic acid, 97%

CAS: 886496-49-7 Molecular Formula: C8H4F4O3 Molecular Weight (g/mol): 224.111 MDL Number: MFCD06660161 InChI Key: PTPKGMXRSREZFB-UHFFFAOYSA-N Synonym: 4-fluoro-3-trifluoromethoxy benzoic acid, 4-fluoro-3-trifluoromethoxy-benzoic acid, benzoic acid,4-fluoro-3-trifluoromethoxy, 5-carboxy-alpha,alpha,alpha,2-tetrafluoroanisole PubChem CID: 17750777 IUPAC Name: 4-fluoro-3-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)F

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-fluorobenzoicacid, 4-fluoro-2-bromobenzoic acid, 2-bromo-4-fluoro-benzoic acid, benzoic acid, 2-bromo-4-fluoro, rarechem al bo 1996, buttpark 18\02-85, 2-bromo-4-fluorbenzoic acid, pubchem1314, 2-bromo-4-fluorobenzoic, 2-bromofluorobenzoic acid PubChem CID: 1268169 IUPAC Name: 2-bromo-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)Br)C(=O)O

Alfa Aesar™ 4,5-Difluoro-2-methoxybenzoic acid, 97%

CAS: 425702-18-7 Molecular Formula: C8H6F2O3 Molecular Weight (g/mol): 188.13 MDL Number: MFCD06660196 InChI Key: GMFHKGUQWAQEIW-UHFFFAOYSA-N Synonym: acmc-20ams0, 4,5-difluoro-2-methoxybenzoicacid, 4,5-difluoro-2-methoxy-benzoic acid PubChem CID: 12040835 IUPAC Name: 4,5-difluoro-2-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1C(=O)O)F)F

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-n,n-diisopropyl-3-nitrobenzamide, 4-chloro-3-nitro-n,n-di propan-2-yl benzamide, 4-chloro-3-nitrophenyl-n,n-bis methylethyl carboxamide 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-Fluoro-5-(isopropylcarbamoyl)benzeneboronic acid, 98%

CAS: 874289-49-3 Molecular Formula: C10H13BFNO3 Molecular Weight (g/mol): 225.026 MDL Number: MFCD08235103 InChI Key: NCRUGKRIPMSQHI-UHFFFAOYSA-N Synonym: 2-fluoro-5-isopropylcarbamoyl phenyl boronic acid, n-isopropyl 3-borono-4-fluorobenzamide, 2-fluoro-5-isopropylcarbamoyl benzeneboronic acid, 2-fluoro-5-isopropylcarbamoyl phenylboronic acid, acmc-209qmq, 3-borono-4-fluoro-n-isopropylbenzamide, 3-borono-4-fluoro-n-propan-2-yl benzamide, 2-fluoro-5-isopropylcarbamoyl phenyl boronicacid, 2-fluoro-5-isopropylcarbamoyl-phenyl boronic acid, 2-fluoranyl-5-propan-2-ylcarbamoyl phenyl boronic acid PubChem CID: 44717605 IUPAC Name: [2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC(C)C)F)(O)O

2-Bromo-4,5-difluorobenzoic acid, 97%, ACROS Organics™

CAS: 64695-84-7 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD04973422 InChI Key: DGCBGBZYTNTZJH-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorobenzoicacid, 2-bromo-4,5-difluoro-benzoic acid, benzoic acid, 2-bromo-4,5-difluoro, pubchem4991, acmc-209nnq, ksc495k3l, benzoic acid,2-bromo-4,5-difluoro, 2-bromo-4,5-difluorobenzoic acid, 2-bromanyl-4,5-bis fluoranyl benzoic acid PubChem CID: 2782789 IUPAC Name: 2-bromo-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Br)C(=O)O

Alfa Aesar™ 3,4-Dichlorobenzoyl chloride, 97%

CAS: 3024-72-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000672 InChI Key: VTXNOVCTHUBABW-UHFFFAOYSA-N Synonym: benzoyl chloride, 3,4-dichloro, 3,4-dichlorobenzoylchloride, 3,4-dichloro benzoyl chloride, 2,3-dichlorobenzoyl, 3,4dichlorobenzoyl chloride, acmc-1aj45, 3,4 dichlorobenzoyl chloride, 3,4-dichlorobenzoyl-chloride, ksc225o5d, 3,4-dichloro-benzoyl chloride PubChem CID: 76403 IUPAC Name: 3,4-dichlorobenzoyl chloride SMILES: C1=CC(=C(C=C1C(=O)Cl)Cl)Cl

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-fluorobenzoic acid ethyl ester, ethyl p-fluorobenzoate, benzoic acid, 4-fluoro-, ethyl ester, p-fluorobenzoic acid, ethyl ester, ethyl4-fluorobenzoate, 4-fluoro-benzoic acid ethyl ester, benzoic acid, p-fluoro-, ethyl ester, ethyep-fluorobenzoate, pubchem3471, ethyl-4-fluorobenzoate PubChem CID: 67976 IUPAC Name: ethyl 4-fluorobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)F

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