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™ 2,3,4,5-Tetrafluorobenzoic acid, 98+%

CAS: 1201-31-6 Molecular Formula: C7H2F4O2 Molecular Weight (g/mol): 194.085 MDL Number: MFCD00009613 InChI Key: SFKRXQKJTIYUAG-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluoro benzoic acid, benzoic acid, tetrafluoro, pubchem1350, tetrafluorobenzoic acid, acmc-1bre4, ksc174o7d, sfkrxqkjtiyuag-uhfffaoysa, 2,3,4,5-tetrafluorbenzoic acid, 2,3,4,5-tetrafluoro-benzoic acid, 2,3,4,5-?tetrafluorobenzoic acid PubChem CID: 297549 IUPAC Name: 2,3,4,5-tetrafluorobenzoic acid SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)O

Alfa Aesar™ 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride, 97%

CAS: 151096-42-3 Molecular Formula: C7BrClF4O Molecular Weight (g/mol): 291.424 MDL Number: MFCD03001174 InChI Key: FLVURBOAHUGHCH-UHFFFAOYSA-N Synonym: benzoyl chloride,2-bromo-3,4,5,6-tetrafluoro, 2-bromo-3,4,5,6-tetrafluorobenzoylchloride, acmc-1c3i6, 2-bromo-3,4,5,6-tetrafluoro-benzoyl chloride, 2-bromanyl-3,4,5,6-tetrakis fluoranyl benzoyl chloride PubChem CID: 2783243 IUPAC Name: 2-bromo-3,4,5,6-tetrafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1Br)F)F)F)F)C(=O)Cl

Methyl 4-iodobenzoate, 98%, Acros Organics

CAS: 619-44-3 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.04 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: methyl p-iodobenzoate, 4-iodobenzoic acid methyl ester, benzoic acid, 4-iodo-, methyl ester, 4-iodo-benzoic acid methyl ester, benzoic acid, p-iodo-, methyl ester, methyl-4-iodobenzoate, methyl 4-iodo-benzoate, methyl-4-iodo-benzoate, pubchem20378, methyl para-iodobenzoate PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate SMILES: COC(=O)C1=CC=C(C=C1)I

Alfa Aesar™ 2-Fluoro-5-(3-pyridylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449132-32-4 Molecular Formula: C12H10BFN2O3 Molecular Weight (g/mol): 260.031 MDL Number: MFCD20265175 InChI Key: LWVDXBKALYJJIU-UHFFFAOYSA-N Synonym: 2-fluoro-5-3-pyridylcarbamoyl benzeneboronic acid, 2-fluoro-5-pyridin-3-yl carbamoyl phenylboronic acid, 2-fluoro-5-3-pyridylcarbamoyl phenylboronic acid PubChem CID: 73995628 IUPAC Name: [2-fluoro-5-(pyridin-3-ylcarbamoyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC2=CN=CC=C2)F)(O)O

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

CAS: 112704-79-7 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00143263 InChI Key: ZQQSRVPOAHYHEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzoic acid, 4-bromo-2-fluoro-benzoic acid, 4-bromo-2-fluorobenzoicacid, benzoic acid, 4-bromo-2-fluoro, pubchem1313, enzalutamide impurity a, acmc-1btmf, 2-fluro-4-bromobenzoic acid, ksc174m4p, rarechem al bo 0754 PubChem CID: 302681 IUPAC Name: 4-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1Br)F)C(=O)O

Alfa Aesar™ Methyl 4-iodobenzoate, 98%

CAS: 619-44-3 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: methyl p-iodobenzoate, 4-iodobenzoic acid methyl ester, benzoic acid, 4-iodo-, methyl ester, 4-iodo-benzoic acid methyl ester, benzoic acid, p-iodo-, methyl ester, methyl-4-iodobenzoate, methyl 4-iodo-benzoate, methyl-4-iodo-benzoate, pubchem20378, methyl para-iodobenzoate PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate SMILES: COC(=O)C1=CC=C(C=C1)I

Alfa Aesar™ Methyl 4-iodo-3-methylbenzoate, 98%

CAS: 5471-81-8 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD02683863 InChI Key: HCSGWQGKCVQIRM-UHFFFAOYSA-N Synonym: 4-iodo-3-methylbenzoic acid methyl ester, methyl 4-iodo-3-methyl-benzoate, 4-iodo-m-toluic acid methyl ester, benzoic acid, 4-iodo-3-methyl-, methyl ester, methyl4-iodo-3-methylbenzoate, acmc-1anqa, methyl 4-iodo-m-toluate, methyl 3methyl-4-iodobenzoate, methyl 3-methyl-4-iodobenzoate, 4-iodo-m-toluic acid, methyl ester PubChem CID: 231757 IUPAC Name: methyl 4-iodo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)I

Alfa Aesar™ 4-Chloro-N-(2,6-dichlorophenyl)benzamide, 97%

CAS: 200807-46-1 Molecular Formula: C13H8Cl3NO Molecular Weight (g/mol): 300.563 MDL Number: MFCD00028788 InChI Key: MGCCUXCCTBKJAN-UHFFFAOYSA-N Synonym: 4-chloro-n-2,6-dichlorophenyl benzamide, 2',4,6'-trichlorobenzanilide PubChem CID: 4693001 IUPAC Name: 4-chloro-N-(2,6-dichlorophenyl)benzamide SMILES: C1=CC(=C(C(=C1)Cl)NC(=O)C2=CC=C(C=C2)Cl)Cl

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

CAS: 1449132-64-2 Molecular Formula: C10H11BClNO3 Molecular Weight (g/mol): 239.462 MDL Number: MFCD22125077 InChI Key: ZXCSFHNBVHLHBP-UHFFFAOYSA-N Synonym: 2-chloro-5-cyclopropylcarbamoyl phenylboronic acid, 2-chloro-5-cyclopropylcarbamoyl benzeneboronic acid PubChem CID: 73995882 IUPAC Name: [2-chloro-5-(cyclopropylcarbamoyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC2CC2)Cl)(O)O

Alfa Aesar™ 2,4-Dichloro-5-fluorobenzoyl chloride, 97%

CAS: 86393-34-2 Molecular Formula: C7H2Cl3FO Molecular Weight (g/mol): 227.44 MDL Number: MFCD00075341 InChI Key: RPZXUSJCSDQNTE-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-fluoro-benzoyl chloride, 2,4-dichloro-5-fluoro benzoyl chloride, benzoyl chloride,2,4-dichloro-5-fluoro, 2,4-dichloro-5-fluorobenzoylchloride, 2,4-bis chloranyl-5-fluoranyl-benzoyl chloride PubChem CID: 2736821 IUPAC Name: 2,4-dichloro-5-fluorobenzoyl chloride SMILES: C1=C(C(=CC(=C1F)Cl)Cl)C(=O)Cl

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-dfba, benzoic acid, 2,4-difluoro, 2,4-difluorobenzoicacid, 2,4-difluoro-benzoic acid, zlchem 472, pubchem1336, acmc-1brgf, 2,4-difluorbenzoic acid, 2,4-difluorobezoic acid, 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™ 3,4,5-Trifluorobenzoyl chloride, 97%

CAS: 177787-26-7 Molecular Formula: C7H2ClF3O Molecular Weight (g/mol): 194.537 MDL Number: MFCD00083526 InChI Key: YRUNCQNKZIQTEO-UHFFFAOYSA-N Synonym: 3,4,5-trifluorobenzoylchloride, benzoyl chloride,3,4,5-trifluoro, acmc-20ange, pubchem20778, 3,4,5-trifluorobenzoic acid chloride, 3,4,5-tris fluoranyl benzoyl chloride, 3,4,5-trifluorobenzoyl chloride, benzoyl chloride, 3,4,5-trifluoro-9ci PubChem CID: 2777023 IUPAC Name: 3,4,5-trifluorobenzoyl chloride SMILES: C1=C(C=C(C(=C1F)F)F)C(=O)Cl

Alfa Aesar™ Methyl 3-amino-4-iodobenzoate, 97%

CAS: 412947-54-7 Molecular Formula: C8H8INO2 Molecular Weight (g/mol): 277.061 MDL Number: MFCD08064225 InChI Key: WJEBNIVVLJEIKE-UHFFFAOYSA-N Synonym: 3-amino-4-iodobenzoic acid methyl ester, benzoic acid, 3-amino-4-iodo-, methyl ester, methyl3-amino-4-iodobenzoate, pubchem10509, acmc-209ygt, ksc495i4l, methyl-3-amino-4-iodobenzoate, methyl 3-amino-4-iodo-benzoate, 3-amino-4-iodo-benzoic acid methyl ester PubChem CID: 21628210 IUPAC Name: methyl 3-amino-4-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)N

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

Alfa Aesar™ 5-(5-Chloro-2-nitrophenylcarbamoyl)-2-fluorobenzeneboronic acid, 97%

CAS: 1449144-52-8 Molecular Formula: C13H9BClFN2O5 Molecular Weight (g/mol): 338.482 MDL Number: MFCD20040135 InChI Key: YARGFVSGOJRMQM-UHFFFAOYSA-N Synonym: 5-5-chloro-2-nitrophenylcarbamoyl-2-fluorobenzeneboronic acid, 5-5-chloro-2-nitrophenyl carbamoyl-2-fluorophenylboronic acid PubChem CID: 73995641 IUPAC Name: [5-[(5-chloro-2-nitrophenyl)carbamoyl]-2-fluorophenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])F)(O)O

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

CAS: 6833-15-4 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.679 MDL Number: MFCD00000620 InChI Key: SFHDVPIEJXCMBP-UHFFFAOYSA-N Synonym: 4-chlorobenzanilide, benzamide,4-chloro-n-phenyl, benzamide, 4-chloro-n-phenyl, p-chlorobenzanilide, 4-chlor-benzanilid, benzanilide, 4-chloro, n-phenyl-4-chlorobenzamide, 4-chloro-n-phenyl-benzamide, 4-chlorophenyl-n-benzamide, 4-chloranyl-n-phenyl-benzamide PubChem CID: 346669 IUPAC Name: 4-chloro-N-phenylbenzamide SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl

Alfa Aesar™ 2,4-Dichloro-5-fluorobenzamide, 97+%

CAS: 135748-33-3 Molecular Formula: C7H4Cl2FNO Molecular Weight (g/mol): 208.013 MDL Number: MFCD01631478 InChI Key: SKSVSZRFINHARI-UHFFFAOYSA-N Synonym: acmc-20a3pc, 2,4-dichloro-5-fluoro-benzamide, benzamide, 2,4-dichloro-5-fluoro, 2,4-dichloro-5-fluorobenzamide PubChem CID: 2774011 IUPAC Name: 2,4-dichloro-5-fluorobenzamide SMILES: C1=C(C(=CC(=C1F)Cl)Cl)C(=O)N

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

CAS: 59748-90-2 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00040903 InChI Key: JAVZWSOFJKYSDY-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-2-chloro, 4-bromo-2-chlorobenzoicacid, 2-chloro-4-bromobenzoic acid, 4-bromo-2-chloro-benzoic acid, rarechem al bo 2371, attercop-chm at111793, zlchem 410, pubchem3586, acmc-1b03i, ksc274c2d PubChem CID: 108829 IUPAC Name: 4-bromo-2-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Br)Cl)C(=O)O

3,4-Difluoro-2-methylbenzoic acid, 97+%, Alfa Aesar™

CAS: 157652-31-8 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD07777153 InChI Key: AGUUCAUQWFAFPR-UHFFFAOYSA-N Synonym: 3,4-difluoro-2-methylbenzoicacid, 3,4-difluoro-2-methyl-benzoic acid, 3,4-difluoro-o-toluic acid, benzoic acid, 3,4-difluoro-2-methyl, pubchem8240, benzoic acid,3,4-difluoro-2-methyl PubChem CID: 12137678 IUPAC Name: 3,4-difluoro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1F)F)C(=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, 4-bromo-o-toluic acid, 4-bromo-2-methyl-benzoic acid, benzoic acid, 4-bromo-2-methyl, synquest 2721-9-x6, 4-bromo-2-methylbenz, 4-bromo-2-methylbenzoicacid, pubchem4029, 5-bromo-2-carboxytoluene, acmc-1baz5 PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O

Alfa Aesar™ Ethyl 2,4-difluorobenzoate, 98%

CAS: 108928-00-3 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.158 MDL Number: MFCD00153149 InChI Key: OPQFYGPAOVCNEQ-UHFFFAOYSA-N Synonym: 2,4-difluorobenzoic acid ethyl ester, 2,4-difluoro-benzoic acid ethyl ester, pubchem3467, acmc-209w2m, ethyl-2,4-difluorobenzoate, ethyl 2,4-di-fluorobenzoate, rarechem al bi 0213, ethyl2,4-difluorobenzoate, 2,4 ethyl-difluorobenzoate, 2,4-difluorobenzoic acid, ethyl ester PubChem CID: 2737170 IUPAC Name: ethyl 2,4-difluorobenzoate SMILES: CCOC(=O)C1=C(C=C(C=C1)F)F

Alfa Aesar™ 4-Fluoro-2-methylbenzoic acid, 95%

CAS: 321-21-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD04115880 InChI Key: KDXOONIQRUZGSY-UHFFFAOYSA-N Synonym: 4-fluoro-o-toluic acid, 2-methyl-4-fluorobenzoic acid, 4-fluoro-2-methylbenzoicacid, 4-fluoro-2-methyl-benzoic acid, benzoic acid, 4-fluoro-2-methyl, pubchem1327, 2-carboxy-5-fluorotoluene, acmc-209hr6, 4-fluoro-2-methyl benzoicacid, rarechem al be 0506 PubChem CID: 3860639 IUPAC Name: 4-fluoro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)F)C(=O)O

Methyl 4-fluorobenzoate, 98%, Acros Organics™

CAS: 403-33-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 InChI Key: MSEBQGULDWDIRW-UHFFFAOYSA-N Synonym: methyl p-fluorobenzoate, 4-fluorobenzoic acid methyl ester, methyl 4-fluorobenzoic acid, benzoic acid, 4-fluoro-, methyl ester, methyl4-fluorobenzoate, methyl-4-fluorobenzoate, 4-fluoro-benzoic acid methyl ester, pubchem3566, acmc-1aef0, asischem p32019 PubChem CID: 67878 IUPAC Name: methyl 4-fluorobenzoate SMILES: COC(=O)C1=CC=C(C=C1)F

Alfa Aesar™ 4-Bromo-N-(3-methylphenyl)benzamide, 97%

CAS: 81636-17-1 Molecular Formula: C14H12BrNO Molecular Weight (g/mol): 290.16 InChI Key: MRYWJNCVXBZMKZ-UHFFFAOYSA-N Synonym: 4-bromo-n-3-methylphenyl benzamide, benzamide, n-3-methylphenyl-4-bromo, 4-bromo-n-m-tolyl-benzamide, 4-bromo-n-m-tolyl benzamide, 4-bromo-n~1~-3-methylphenyl benzamide, 4-bromophenyl-n-3-methylphenyl carboxamide PubChem CID: 532151 IUPAC Name: 4-bromo-N-(3-methylphenyl)benzamide SMILES: CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)Br

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