2-halobenzoic acids and derivatives

Alfa Aesar™ 2-Fluoro-N-methylbenzamide, 97%

CAS: 52833-63-3 Molecular Formula: C8H8FNO Molecular Weight (g/mol): 153.156 MDL Number: MFCD01214098 InChI Key: NAGFMACWWJYORB-UHFFFAOYSA-N Synonym: o-fluoro-n-methylbenzamide, 2-fluoro-n-methyl-benzamide, benzamide,2-fluoro-n-methyl, benzamide, 2-fluoro-n-methyl, 2-fluorophenyl-n-methylcarboxamide PubChem CID: 2425972 IUPAC Name: 2-fluoro-N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1F

Alfa Aesar™ 2-Chlorobenzoic acid, 98+%

CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: o-chlorobenzoic acid, benzoic acid, o-chloro, benzoic acid, 2-chloro, 2-cba, kyselina o-chlorbenzoova, chlorobenzoic acid, ocba, benzoic acid, chloro, 2-chloro-benzoic acid, chlorobenzoate PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

Alfa Aesar™ Methyl 2,6-difluorobenzoate, 97%

CAS: 13671-00-6 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00051778 InChI Key: QNPFLTKQLFSKBY-UHFFFAOYSA-N Synonym: 2,6-difluorobenzoic acid, methyl ester, benzoic acid, 2,6-difluoro-, methyl ester, acmc-1bxyv, ksc494g7r, methyl2,6-difluorobenzoate, methyl 2,6-difluorobenzoate, 2,6-difluorobenzoic acid methyl ester, 2-methoxycarbonyl-1,3-difluorobenzene PubChem CID: 518798 IUPAC Name: methyl 2,6-difluorobenzoate SMILES: COC(=O)C1=C(C=CC=C1F)F

Alfa Aesar™ N-(2-Chloro-4-iodophenyl)-2-fluorobenzamide, 97%

CAS: 433316-37-1 Molecular Formula: C13H8ClFINO Molecular Weight (g/mol): 375.566 MDL Number: MFCD03240789 InChI Key: HMFPZLBLOKLAPU-UHFFFAOYSA-N Synonym: n-2-chloro-4-iodophenyl-2-fluorobenzamide, cambridge id 6920372 PubChem CID: 1324056 IUPAC Name: N-(2-chloro-4-iodophenyl)-2-fluorobenzamide SMILES: C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)I)Cl)F

Alfa Aesar™ 2-Chloro-4-(methylsulfonyl)benzoic acid, 96%

CAS: 53250-83-2 Molecular Formula: C8H7ClO4S Molecular Weight (g/mol): 234.65 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-N Synonym: 2-chloro-4-methylsulfonyl benzoic acid, 2-chloro-4-methylsulphonylbenzoic acid, 2-chloro-4-methanesulfonylbenzoic acid, benzoic acid, 2-chloro-4-methylsulfonyl, 2-chloro-4-methanesulfonyl-benzoic acid, 2-chloro-4-methylsulfonyl benzoic acid dry basis, maybridge1_004133, cmba, pubchem20281, acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl

Alfa Aesar™ 2-Fluoro-5-iodobenzoic acid, 97%

CAS: 124700-41-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD03094517 InChI Key: QNNJHBNTHVHALE-UHFFFAOYSA-N Synonym: benzoic acid, 2-fluoro-5-iodo, 2-fluoro-5-iodobenzoicacid, 2-fluoro-5-iodo-benzoic acid, pubchem1385, acmc-1c24w, ksc174o6d, rarechem al bo 1479, buttpark 122\01-06, 5-iodo-2-fluorobenzoic acid, 2-fluoro-5-iodobenzoic acid PubChem CID: 2778925 IUPAC Name: 2-fluoro-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)F

Alfa Aesar™ 2-Fluoro-6-methoxybenzamide, 98%

CAS: 529512-81-0 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD00277474 InChI Key: BDJNFURQDZEPLK-UHFFFAOYSA-N Synonym: 2-fluoro-6-methoxy-benzamide, 2-methoxy-6-fluorobenzamide, 2-fluoro-6-methoxy benzamide, #, benzamide, 2-fluoro-6-methoxy PubChem CID: 579738 IUPAC Name: 2-fluoro-6-methoxybenzamide SMILES: COC1=C(C(=CC=C1)F)C(=O)N

Alfa Aesar™ 4-n-Butoxy-2,6-difluorobenzoic acid, 97%

CAS: 123843-56-1 Molecular Formula: C11H12F2O3 Molecular Weight (g/mol): 230.211 MDL Number: MFCD22201018 InChI Key: CSCQGLAJIXARHJ-UHFFFAOYSA-N Synonym: 4-n-butoxy-2,6-difluorobenzoic acid PubChem CID: 19010178 IUPAC Name: 4-butoxy-2,6-difluorobenzoic acid SMILES: CCCCOC1=CC(=C(C(=C1)F)C(=O)O)F

Alfa Aesar™ 1-(2-Chlorobenzoyl)pyrrolidine, 97%

CAS: 70657-66-8 Molecular Formula: C11H12ClNO Molecular Weight (g/mol): 209.673 MDL Number: MFCD00583236 InChI Key: GJOSCESYZNHDFC-UHFFFAOYSA-N Synonym: 1-2-chlorobenzoyl pyrrolidine, 2-chlorophenyl pyrrolidinyl ketone, 2-chlorophenyl 1-pyrrolidinyl methanone, 2-chlorophenyl-pyrrolidin-1-ylmethanone, 2-chlorophenyl pyrrolidin-1-yl methanone, 2-chloro-phenyl-pyrrolidin-1-yl-methanone PubChem CID: 722329 IUPAC Name: (2-chlorophenyl)-pyrrolidin-1-ylmethanone SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2Cl

2-Iodosobenzoic acid, 98%, ACROS Organics™

CAS: 304-91-6 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.02 InChI Key: IFPHDUVGLXEIOQ-UHFFFAOYSA-N Synonym: 2-iodosobenzoic acid, o-iodosobenzoic acid, o-iodosylbenzoic acid, o-iodosobenzoate, benzoic acid, 2-iodosyl, benzoic acid, o-iodoso, 2-iodosyl benzoate, benzoic acid, iodosyl, ortho-iodosylbenzoic acid, 3h-1,2-benziodoxol-1-ium, 3-oxo-, hydroxide PubChem CID: 67537 ChEBI: CHEBI:52698 IUPAC Name: 2-iodosylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I=O

Alfa Aesar™ Methyl 2-chlorobenzoate, 98%

CAS: 610-96-8 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00016337 InChI Key: JAVRNIFMYIJXIE-UHFFFAOYSA-N Synonym: methyl o-chlorobenzoate, methyl-2-chlorobenzoate, benzoic acid, 2-chloro-, methyl ester, 2-chlorobenzoic acid methyl ester, unii-g344nes07r, benzoic acid, o-chloro-, methyl ester, benzoicacid, 2-chloro-, methyl ester, pubchem3707, methyl-o-chlorobenzoate, acmc-209moz PubChem CID: 11895 IUPAC Name: methyl 2-chlorobenzoate SMILES: COC(=O)C1=CC=CC=C1Cl

Ethyl 2-bromobenzoate, 98%, ACROS Organics™

CAS: 6091-64-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00015443 InChI Key: BIHHBTVQFPVSTE-UHFFFAOYSA-N Synonym: 2-bromobenzoic acid ethyl ester, benzoic acid, 2-bromo-, ethyl ester, ethyl-2-bromobenzoate, ethyl2-bromobenzoate, ethyl bromobenzoate, ethyl o-bromobenzoate, pubchem3937, brombenzoesaureathylester, acmc-209mn8, ksc493o4r PubChem CID: 80186 IUPAC Name: ethyl 2-bromobenzoate SMILES: CCOC(=O)C1=CC=CC=C1Br

2-Chlorobenzoic acid, 98%, ACROS Organics™

CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: o-chlorobenzoic acid, benzoic acid, o-chloro, benzoic acid, 2-chloro, 2-cba, kyselina o-chlorbenzoova, chlorobenzoic acid, ocba, benzoic acid, chloro, 2-chloro-benzoic acid, chlorobenzoate PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

Alfa Aesar™ 4-Methoxycarbonyl-3-chlorobenzeneboronic acid pinacol ester, 98%

CAS: 334018-52-9 Molecular Formula: C14H18BClO4 Molecular Weight (g/mol): 296.554 MDL Number: MFCD06659928 InChI Key: SPVAFOQLYCMOAO-UHFFFAOYSA-N Synonym: methyl 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate, 3-chloro-4-methoxycarbonylphenylboronic acid, pinacol ester, 3-chloro-4-methoxycarbonylphenylboronic acid pinacol ester, 3-chloro-4-methoxycarbonyl benzeneboronic acid pinacol ester, 3-chloro-4-methoxycarbonyl benzeneboronic acid, pinacol ester, methyl 2-chloro-4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate, 4-methoxycarbonyl-3-chlorophenylboronic acid, pinacol ester, methyl 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl benzoate, methyl2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate, 2-3-chloro-4-methoxycarbonyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 22493932 IUPAC Name: methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)Cl

Alfa Aesar™ 4-Ethylcarbamoyl-3-fluorobenzeneboronic acid, 98%

CAS: 874289-12-0 Molecular Formula: C9H11BFNO3 Molecular Weight (g/mol): 210.999 MDL Number: MFCD08436070 InChI Key: PCACUISZWVJQCI-UHFFFAOYSA-N Synonym: 4-ethylcarbamoyl-3-fluorophenyl boronic acid, n-ethyl 4-borono-2-fluorobenzamide, 4-ethylcarbamoyl-3-fluorobenzeneboronic acid, 4-ethylcarbamoyl-3-fluorophenylboronic acid, boronic acid,b-4-ethylamino carbonyl-3-fluorophenyl, acmc-209qm5, n-ethyl-4-borono-2-fluorobenzamide, 4-ethylcarbamoyl-3-fluorophenyl boronicacid, 4-ethylcarbamoyl-3-fluoranyl-phenyl boronic acid PubChem CID: 44717595 IUPAC Name: [4-(ethylcarbamoyl)-3-fluorophenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)NCC)F)(O)O

Methyl 2-iodobenzoate, 99+%, ACROS Organics™

CAS: 610-97-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.04 MDL Number: MFCD00016351 InChI Key: BXXLTVBTDZXPTN-UHFFFAOYSA-N Synonym: 2-iodobenzoic acid methyl ester, methyl o-iodobenzoate, methyl-2-iodobenzoate, benzoic acid, 2-iodo-, methyl ester, 2-iodo-benzoic acid methyl ester, methyl2-iodobenzoate, benzoic acid, o-iodo-, methyl ester, methyl 2-iodo-benzoate, pubchem10568, acmc-209mp0 PubChem CID: 69132 IUPAC Name: methyl 2-iodobenzoate SMILES: COC(=O)C1=CC=CC=C1I

Alfa Aesar™ 2-Fluorobenzoyl chloride, 97%

CAS: 393-52-2 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000656 InChI Key: RAAGZOYMEQDCTD-UHFFFAOYSA-N Synonym: o-fluorobenzoyl chloride, benzoyl chloride, 2-fluoro, benzoyl chloride, o-fluoro, 2-fluorobenzoylchloride, 2-fluoro benzoyl chloride, unii-z4h017n76s, ccris 5914, fluorobenzoyl chloride, benzoyl chloride, fluoro, 2-fluorobenzoic acid chloride PubChem CID: 9808 IUPAC Name: 2-fluorobenzoyl chloride SMILES: C1=CC=C(C(=C1)C(=O)Cl)F

Alfa Aesar™ 2-Bromo-5-chlorobenzoic acid, 98+%

CAS: 21739-93-5 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00013982 InChI Key: RBCPJQQJBAQSOU-UHFFFAOYSA-N Synonym: 6-bromo-3-chlorobenzoic acid, benzoic acid, 2-bromo-5-chloro, 2-bromo-5-chloro-benzoic acid, 5-chloro-2-bromobenzoic acid, pubchem3584, acmc-1co7w, 2-bromo-5-chlorobenzoicacid, ksc204k2j, benzoicacid, 2-bromo-5-chloro, zerenex e/9071908 PubChem CID: 89027 IUPAC Name: 2-bromo-5-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)C(=O)O)Br

Alfa Aesar™ 3-Chloro-2-fluorobenzoic acid, 97%

CAS: 161957-55-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042506 InChI Key: FCSSYEWURMTUSM-UHFFFAOYSA-N Synonym: 2-fluoro-3-chlorobenzoic acid, 3-chloro-2-fluoro benzoic acid, 3-chloro-2-fluoro-benzoic acid, 3-chloro-2-fluorobenzoicacid, 3-chloro-2-fluorbenzoic acid, pubchem1332, acmc-209dnj, intermediates-zcf02219, benzoic acid, chlorofluoro, ksc112c3l PubChem CID: 302931 IUPAC Name: 3-chloro-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)O

Alfa Aesar™ 4-Ethoxycarbonyl-3-fluorobenzeneboronic acid, 95%

CAS: 874288-38-7 Molecular Formula: C9H10BFO4 Molecular Weight (g/mol): 211.983 MDL Number: MFCD06656274 InChI Key: CXSPPZZTTSHTMP-UHFFFAOYSA-N Synonym: 4-ethoxycarbonyl-3-fluorophenylboronic acid, 4-ethoxycarbonyl-3-fluorobenzeneboronic acid, ethyl 4-borono-2-fluorobenzoate, 4-ethoxycarbonyl-3-fluorophenyl boronic acid, 4-ethoxycarbonyl-3-fluoro-phenyl boronic acid, 4-ethoxycarbonyl-3-fluorophenylboronicacid, 3-fluoro-4-ethoxycarbonylphenylboronic acid, 4-borono-2-fluoro-benzoic acid, 1-ethyl ester, benzoic acid, 4-borono-2-fluoro-, 1-ethyl ester, acmc-209qm0 PubChem CID: 2763245 IUPAC Name: (4-ethoxycarbonyl-3-fluorophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)OCC)F)(O)O

Alfa Aesar™ 4-Ethoxy-2,6-difluorobenzoyl chloride, 97%

CAS: 1373920-79-6 Molecular Formula: C9H7ClF2O2 Molecular Weight (g/mol): 220.6 MDL Number: MFCD22201053 InChI Key: DFCDPQTYYGJYOD-UHFFFAOYSA-N PubChem CID: 86277653 IUPAC Name: 4-ethoxy-2,6-difluorobenzoyl chloride SMILES: CCOC1=CC(=C(C(=C1)F)C(=O)Cl)F

Alfa Aesar™ 2-Chloro-6-fluorobenzoyl chloride, 98%

CAS: 79455-63-3 Molecular Formula: C7H3Cl2FO Molecular Weight (g/mol): 192.998 MDL Number: MFCD00178746 InChI Key: GFNAJZAKJGKJCS-UHFFFAOYSA-N Synonym: 2-chloro-6-fluorobenzoylchloride, 2-chloro-6-fluorobenzene-1-carbonyl chloride, 2-chloro-6-fluoro-benzoyl chloride, 6-chloro-2-fluorobenzoyl chloride, benzoyl chloride, 2-chloro-6-fluoro, acmc-1behg, 2-fluoro-6-chlorobenzoyl chloride, attercop-chm at108371, 2-chloro-6-fluoro benzoyl chloride, 2-chloranyl-6-fluoranyl-benzoyl chloride PubChem CID: 2736547 IUPAC Name: 2-chloro-6-fluorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)F

Alfa Aesar™ 4-(Difluoromethoxy)-2-fluorobenzamide, 97%

CAS: 1092461-40-9 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD11519384 InChI Key: HTYNIXMOQFLMOE-UHFFFAOYSA-N Synonym: 4-difluoromethoxy-2-fluorobenzamide PubChem CID: 57364065 IUPAC Name: 4-(difluoromethoxy)-2-fluorobenzamide SMILES: C1=CC(=C(C=C1OC(F)F)F)C(=O)N

Alfa Aesar™ 3-Fluorophthalic acid, 97%

CAS: 1583-67-1 Molecular Formula: C8H5FO4 Molecular Weight (g/mol): 184.122 MDL Number: MFCD00039524 InChI Key: BBCQSMSCEJBIRD-UHFFFAOYSA-N Synonym: 3-fluorobenzene-1,2-dicarboxylic acid, 3-fluoro-1,2-benzenedicarboxylic acid, 1,2-benzenedicarboxylic acid, 3-fluoro, 1,2-benzenedicarboxylic acid, fluoro, 3-fluorophthalic, 3-fluorophtalic acid, 3-fluorophthatic acid, pubchem1405, 3-fluorophthalicacid PubChem CID: 345381 IUPAC Name: 3-fluorophthalic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O

2-Iodobenzoic acid, 98%, ACROS Organics™

CAS: 88-67-5 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.01 InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N Synonym: o-iodobenzoic acid, benzoic acid, 2-iodo, iodobenzoic acid, benzoic acid, o-iodo, usaf ek-572, 2-iodo benzoic acid, 2-iodo-benzoic acid, benzoic acid, iodo, kyselina o-jodbenzoova, o-jod-benzoesaeure PubChem CID: 6941 ChEBI: CHEBI:287979 IUPAC Name: 2-iodobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I

Alfa Aesar™ 4-Carboxy-3-chlorobenzeneboronic acid, 97%

CAS: 136496-72-5 Molecular Formula: C7H6BClO4 Molecular Weight (g/mol): 200.381 MDL Number: MFCD06656268 InChI Key: QFAFGWXQNDYXPZ-UHFFFAOYSA-N Synonym: 4-carboxy-3-chlorophenylboronic acid, 3-chloro-4-carboxyphenylboronic acid, 4-carboxy-3-chlorobenzeneboronic acid, 2-chloro-4-dihydroxyboranyl benzoic acid, 4-carboxy-3-chlorobenzeneboronicacid, pubchem5134, 4-carboxy-3, akos brn-0544, acmc-1cuk9, ksc174k1d PubChem CID: 14903223 IUPAC Name: 4-borono-2-chlorobenzoic acid SMILES: B(C1=CC(=C(C=C1)C(=O)O)Cl)(O)O

Alfa Aesar™ 2-Bromo-N-methylbenzamide, 99%

CAS: 61436-88-2 Molecular Formula: C8H8BrNO Molecular Weight (g/mol): 214.062 MDL Number: MFCD00099250 InChI Key: FKVCJQNPXXXZIE-UHFFFAOYSA-N Synonym: n-methyl 2-bromobenzamide, n-methyl-2-bromobenzamide, benzamide,2-bromo-n-methyl, benzamide, 2-bromo-n-methyl, acmc-209msn, 2-bromo-n-methylbenzamide, 2-bromo-n-methyl-benzamide, 2-bromanyl-n-methyl-benzamide, 2-bromophenyl-n-methylcarboxamide PubChem CID: 264945 IUPAC Name: 2-bromo-N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1Br

Alfa Aesar™ 2-Fluoro-5-(trifluoromethoxy)benzoic acid, 97%

CAS: 886497-85-4 Molecular Formula: C8H4F4O3 Molecular Weight (g/mol): 224.111 MDL Number: MFCD04115887 InChI Key: CSMVUVGPLMTFIZ-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethoxy benzoic acid, pubchem4757, 2-fluoro-5-trifluoromethoxy-benzoic acid, benzoic acid,2-fluoro-5-trifluoromethoxy, 2-fluoro-5-trifluoromethoxy benzoicacid PubChem CID: 3852520 IUPAC Name: 2-fluoro-5-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)F

Alfa Aesar™ 2-Fluoro-6-iodobenzoic acid, 97%

CAS: 111771-08-5 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD00042289 InChI Key: CYCXAPWOBWWNRK-UHFFFAOYSA-N Synonym: 6-fluoro-2-iodobenzoic acid, benzoic acid, 2-fluoro-6-iodo, maybridge3_007452, pubchem1386, acmc-2099an, 2-fluoro-6-iodobenzoicacid, 2-fluoro-6-iodo benzoic acid, 2-fluoro-6-iodo-benzoic acid, rarechem al bo 0280, attercop-chm at126295 PubChem CID: 2733302 IUPAC Name: 2-fluoro-6-iodobenzoic acid SMILES: C1=CC(=C(C(=C1)I)C(=O)O)F

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