Benzoic acids and derivatives

Alfa Aesar™ 4-Fluorobenzoyl chloride, 98%

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

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: p-bromobenzoic acid, benzoic acid, 4-bromo, p-carboxybromobenzene, benzoic acid, p-bromo, p-bromobenzenecarboxylic acid, 4-bromo-benzoic acid, 4-brom-benzoesaeure, 4-carboxybromobenzene, para bromo benzoic acid, 4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

Alfa Aesar™ 4-Amino-2,3,5,6-tetrafluorobenzoic acid, 98%

CAS: 944-43-4 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007647 InChI Key: WTNSXWSOTDBWOR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-4-aminobenzoic acid, acmc-209rrw, 4-amino-2,3,5,6-tetrafluorobenzoicacid, 2,3,5,6-tetrafluoro-4-amino-benzoic acid, 4-amino-2,3,5,6-tetrafluoro-benzoic acid, benzoic acid,4-amino-2,3,5,6-tetrafluoro, benzoic acid, 4-amino-2,3,5,6-tetrafluoro, 4-amino-2,3,5,6-tetrafluorobenzoic acid PubChem CID: 70345 IUPAC Name: 4-amino-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O

Alfa Aesar™ Methyl thiosalicylate, 97%

CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate, methyl 2-mercaptobenzoate, methyl o-mercaptobenzoate, usaf ma-15, benzoic acid, 2-mercapto-, methyl ester, methyl-o-mercaptobenzoate, methyl-2-mercaptobenzoate, benzoic acid, o-mercapto-, methyl ester, 2-methoxycarbonyl thiophenol, 2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S

Alfa Aesar™ 2,5-Dimethoxybenzoic acid, 98+%

CAS: 2785-98-0 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002436 InChI Key: NYJBTJMNTNCTCP-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dimethoxy, 6-methoxy-m-anisic acid, 2,5-dimethoxy-benzoic acid, 2,5-dimethoxybenzoicacid, pubchem14413, acmc-1cit0, 2,5-dimethoxybenzoic acid PubChem CID: 76027 IUPAC Name: 2,5-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1)OC)C(=O)O

Alfa Aesar™ 3-Chloro-2,4-difluorobenzoic acid, 97%

CAS: 154257-75-7 Molecular Formula: C7H3ClF2O2 Molecular Weight (g/mol): 192.546 MDL Number: MFCD01631387 InChI Key: YGYZTZAEZMCPSC-UHFFFAOYSA-N Synonym: 3-chloro-2,4-difluoro-benzoic acid, 2,4-difluoro-3-chlorobenzoic acid, 3-chloro-2,4-difluorobenzoicacid, benzoic acid, 3-chloro-2,4-difluoro, pubchem2217, acmc-1byme, intermediates-zcf02173, ksc181k3p PubChem CID: 2773532 IUPAC Name: 3-chloro-2,4-difluorobenzoic acid SMILES: C1=CC(=C(C(=C1C(=O)O)F)Cl)F

2-Chloro-4-nitrobenzoic acid, 98%, Acros Organics

CAS: 99-60-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid, benzoic acid, 2-chloro-4-nitro, kyselina 2-chloro-4-nitrobenzoova, kyselina 2-chloro-4-nitrobenzoova czech, 2-chloro-4-nitrobenzoic, 2-chloro-4-nitro-benzoic acid, 2-chloro-4-nitro benzoic acid, 2-chloro-4-nitrobenzoicacid, pubchem20257, acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

5-[[Amino(imino)methyl]amino]-2-(benzoylamino)pentanoic acid, 97%, Maybridge

CAS: 6453-58-3 Molecular Formula: C13H18N4O3 Molecular Weight (g/mol): 278.312 MDL Number: MFCD00063011 InChI Key: RSYYQCDERUOEFI-UHFFFAOYSA-N Synonym: 5-amino imino methyl amino-2-benzoylamino pentanoic acid, 5-carbamimidamido-2-phenylformamido pentanoic acid, n2-benzoylarginine, l-arginine, n2-benzoyl, benzoyl-dl-arginine, n-?-benzoyl-l-arginine, 2-benzamido-5-guanidinopentanoic acid, 2-benzoylamino-5-guanidinovaleric acid, arginine,n2-benzoyl-,monohydrochloride 9ci, 2-benzamido-5-diaminomethylideneamino pentanoic acid PubChem CID: 273355 IUPAC Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O

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

CAS: 161957-56-8 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00665763 InChI Key: UVKURTLVTLRSSM-UHFFFAOYSA-N Synonym: 3-bromo-2-fluoro-benzoic acid, 3-bromo-2-fluorobenzoicacid, 2-fluoro-3-bromobenzoic acid, benzoic acid, 3-bromo-2-fluoro, 3-bromo-2-fluoro benzoic acid, buttpark 14\01-30, 3-bromo-2-fluorobenzenecarboxylic acid, pubchem1318, acmc-209dnk, intermediates-zcf02220 PubChem CID: 2736313 IUPAC Name: 3-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)F)C(=O)O

Alfa Aesar™ 5-Methylsalicylic acid, 98%

CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid, p-cresotic acid, p-cresotinic acid, 6-hydroxy-m-toluic acid, p-homosalicylic acid, 2,5-cresotic acid, benzoic acid, 2-hydroxy-5-methyl, 5-methyl-2-hydroxybenzoic acid, 6-hydroxy-3-methylbenzoic acid, alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O

Alfa Aesar™ 2-Amino-3-bromobenzoic acid, 97%

CAS: 20776-51-6 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD03618453 InChI Key: SRIZNTFPBWRGPB-UHFFFAOYSA-N Synonym: 3-bromoanthralic acid, 2-amino-3-bromo-benzoic acid, benzoic acid, 2-amino-3-bromo, 3-bromoanthranilic acid, 2-amino-3-bromobenzoicacid, 2-amino-3-bromo benzoic acid, buttpark 49\07-48, 2-amino-3-bromo-benzoicacid, zlchem 426 PubChem CID: 270259 IUPAC Name: 2-amino-3-bromobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)N)C(=O)O

2,3-Diaminobenzoic acid, 95%, Acros Organics™

CAS: 603-81-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 InChI Key: KKTUQAYCCLMNOA-UHFFFAOYSA-N Synonym: diaminobenzoic acid, benzoic acid, diamino, 3-carboxy-1,2-diaminobenzene, pubchem3145, acmc-209mjn, 2,3-diaminobenzonic acid, 2,3-diamino benzoic acid, ksc203g4l, pharmabridge p-2952, 2,3-diaminobenzoic acid PubChem CID: 198069 IUPAC Name: 2,3-diaminobenzoic acid SMILES: C1=CC(=C(C(=C1)N)N)C(=O)O

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™ 3-Bromo-4-methylbenzoic acid, 98+%

CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00002488 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoicacid, 3-bromo-p-toluic acid, benzoic acid, 3-bromo-4-methyl, 3-bromo-4-methyl-benzoic acid, bromo-p-toluic acid, pubchem3806, bromo-para-toluic acid, 3-bromo4-methylbenzoic acid, acmc-1bg95, akos bbb/219 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Br

Alfa Aesar™ 5-Chloro-2-hydroxybenzamide, 97%

CAS: 7120-43-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007980 InChI Key: NNHMQZBVJPQCAK-UHFFFAOYSA-N Synonym: 5-chlorosalicylamide, chlorosalicylamide, benzamide, 5-chloro-2-hydroxy, 5-chlorosalicyl-amide, acmc-209ohl, 5chloro-2-hydroxy-benzamide, ksc498a5j, 5-chloro-2-hydroxy-benzamide, #, 5-chloranyl-2-oxidanyl-benzamide PubChem CID: 348094 IUPAC Name: 5-chloro-2-hydroxybenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)O

Alfa Aesar™ 3-Iodobenzoic acid, 98+%

CAS: 618-51-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002496 InChI Key: KVBWBCRPWVKFQT-UHFFFAOYSA-N Synonym: m-iodobenzoic acid, benzoic acid, 3-iodo, 3-iodo-benzoic acid, benzoic acid, m-iodo, 3-iodobenzoicacid, 3-carboxyiodobenzene, 3-iodo benzoic acid, pubchem3925, acmc-209mwv, meta-carboxy iodo-benzene PubChem CID: 12060 IUPAC Name: 3-iodobenzoic acid SMILES: C1=CC(=CC(=C1)I)C(=O)O

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

CAS: 41614-18-0 Molecular Formula: C14H17ClN2O3 Molecular Weight (g/mol): 296.751 MDL Number: MFCD01211935 InChI Key: YPYXOOOTWPRAEX-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrophenyl-n-cyclohexyl-n-methylcarboxamide PubChem CID: 3405764 IUPAC Name: 4-chloro-N-cyclohexyl-N-methyl-3-nitrobenzamide SMILES: CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Alfa Aesar™ 4-Fluoro-2-iodobenzoic acid, 97%

CAS: 56096-89-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD04108278 InChI Key: DUKFTVLJAXWGPI-UHFFFAOYSA-N Synonym: 4-fluoro-2-iodo-benzoic acid, 2-iodo-4-fluorobenzoic acid, 4-fluoro-2-iodobenzoicacid, benzoic acid, 4-fluoro-2-iodo, benzoic acid, 4-fluoroiodo, pubchem1389, acmc-1atr7, ksc494a9j, benzoic acid,4-fluoro-2-iodo, buttpark 83\07-33 PubChem CID: 12520164 IUPAC Name: 4-fluoro-2-iodobenzoic acid SMILES: C1=CC(=C(C=C1F)I)C(=O)O

3,4-Dimethoxybenzoic acid, 99+%, ACROS Organics™

CAS: 93-07-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002500 InChI Key: DAUAQNGYDSHRET-UHFFFAOYSA-N Synonym: veratric acid, benzoic acid, 3,4-dimethoxy, dimethylprotocatechuic acid, veratrylic acid, 3,4-dimethylprotocatechuic acid, veratrumenoic acid, 3,4-dimethoxy-benzoic acid, unii-1yy04e7rr4, 3,4-dimethoxybenzoes PubChem CID: 7121 ChEBI: CHEBI:296881 IUPAC Name: 3,4-dimethoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)OC

2-Methyl-5-nitrobenzoic acid, 99+%, ACROS Organics™

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid, 5-nitro-o-toluic acid, benzoic acid, 2-methyl-5-nitro, 2-methyl-5-nitro-benzoic acid, 5-nitro-2-methylbenzoic acid, rarechem al bo 0285, 5-nitro-2-methyl benzoic acid, 2-methyl-5-nitro benzoic acid, pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Alfa Aesar™ Methyl 2,6-difluoro-3-nitrobenzoate, 98%

CAS: 84832-01-9 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.128 MDL Number: MFCD07368850 InChI Key: CIHHBTMZOLRCRL-UHFFFAOYSA-N Synonym: 2,6-difluoro-3-nitrobenzoic acid methyl ester, benzoic acid,2,6-difluoro-3-nitro-, methyl ester, benzoic acid, 2,6-difluoro-3-nitro-, methyl ester, acmc-209pwt, methyl2,6-difluoro-3-nitrobenzoate, 2,6-difluoro-3-nitro-benzoic acid methyl ester PubChem CID: 43449035 IUPAC Name: methyl 2,6-difluoro-3-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

2-Chloro-3-methoxybenzoic acid, 97%, Acros Organics™

CAS: 33234-36-5 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.6 InChI Key: VIUDWLLKFANPLX-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-3-methoxy, acmc-20a6cl, 2-chloro-m-anisic acid, 2-chloro-3-methoxybenzoicacid, 2-chloro-3-methoxybenzoic acid PubChem CID: 16218063 IUPAC Name: 2-chloro-3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1Cl)C(=O)O

Alfa Aesar™ 4-Bromo-N-methylbenzamide, 97%

CAS: 27466-83-7 Molecular Formula: C8H8BrNO Molecular Weight (g/mol): 214.062 MDL Number: MFCD00462943 InChI Key: DXCFWNVWQTYPOC-UHFFFAOYSA-N Synonym: benzamide, 4-bromo-n-methyl, n-methyl 4-bromobenzamide, acmc-209gxd, n-methyl-4-bromobenzamide, 4-bromo-n-methyl-benzamide, 4-bromophenyl-n-methylcarboxamide PubChem CID: 186113 IUPAC Name: 4-bromo-N-methylbenzamide SMILES: CNC(=O)C1=CC=C(C=C1)Br

Alfa Aesar™ 6-Chloro-2,3-difluorobenzoic acid, 97%

CAS: 887584-84-1 Molecular Formula: C7H3ClF2O2 Molecular Weight (g/mol): 192.546 MDL Number: MFCD07368094 InChI Key: MJWXJSUYTVBLJU-UHFFFAOYSA-N Synonym: 2,3-difluoro-6-chlorobenzoic acid PubChem CID: 29922009 IUPAC Name: 6-chloro-2,3-difluorobenzoic acid SMILES: C1=CC(=C(C(=C1F)F)C(=O)O)Cl

Alfa Aesar™ 2,3,4,5-Tetrafluorobenzoyl chloride, 98%

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

Alfa Aesar™ Methyl 3-bromo-4-methylbenzoate, 99%

CAS: 104901-43-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00144769 InChI Key: MASRAGFWFYHMFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoic acid methyl ester, methyl 3-bromo-p-toluate, methyl3-bromo-4-methylbenzoate, benzoic acid, 3-bromo-4-methyl-, methyl ester, 3-bromo-p-toluic acid methyl ester, 3-bromo-4-methyl methyl benzoate, 3-bromo-4-methyl-benzoic acid methyl ester, pubchem3967, acmc-2098dw, methyl 3-bromo4-methylbenzoate PubChem CID: 7015747 IUPAC Name: methyl 3-bromo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)Br

Alfa Aesar™ Nitroterephthalic acid, 99%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid, 2-nitroterephthalic acid, 2-nitrobenzene-1,4-dicarboxylic acid, 1,4-benzenedicarboxylic acid, 2-nitro, terephthalic acid, nitro, 2-nitroterephthalicacid, 2-nitroterephthalate, 5-nitroterephthalic acid, acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Alfa Aesar™ Methyl 3,4-dihydroxybenzoate, 97%

CAS: 2150-43-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00016437 InChI Key: CUFLZUDASVUNOE-UHFFFAOYSA-N Synonym: methyl protocatechuate, protocatechuic acid, methyl ester, 3,4-dihydroxybenzoic acid methyl ester, protocatechuic acid methyl ester, benzoic acid, 3,4-dihydroxy-, methyl ester, 3,4-dihydroxymethylbenzoate, 3,4-dihydroxybenzoic acid methyl, mdhb, methyl 3,4-dihydroxy, acmc-1cfbz PubChem CID: 287064 IUPAC Name: methyl 3,4-dihydroxybenzoate SMILES: COC(=O)C1=CC(=C(C=C1)O)O

Alfa Aesar™ 3-Methoxybenzoic acid, 99%

CAS: 586-38-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002499 InChI Key: XHQZJYCNDZAGLW-UHFFFAOYSA-N Synonym: m-anisic acid, m-methoxybenzoic acid, benzoic acid, 3-methoxy, 3-anisic acid, meta-anisic acid, 3-methoxy-benzoic acid, unii-e2i36fh6qz, m-methylsalicylic acid, e2i36fh6qz, chembl22425 PubChem CID: 11461 IUPAC Name: 3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1)C(=O)O

2-Methyl-6-nitrobenzoic acid, 99%, Acros Organics™

CAS: 13506-76-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 InChI Key: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 2-methyl-6-nitrobenzoic acid, 6-nitro-o-toluic acid, benzoic acid, 2-methyl-6-nitro, 6-methyl-2-nitrobenzoic acid, 2-methyl-6-nitro-benzoic acid, o-toluic acid, 6-nitro, 2-methyl-6-nitrobenzoicacid, unii-jm85y56dx1, nitrotoluylsaure, nitro-ortho-toluic acid PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

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