Benzoic acids and derivatives

Alfa Aesar™ Terephthalsäure, 98+ %

CAS: 100-21-0 Summenformel: C8H6O4 Molare Masse (g/mol): 166.132 MDL-Nummer: MFCD00002558 InChI-Schlüssel: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid, 1,4-benzenedicarboxylic acid, benzene-1,4-dicarboxylic acid, p-dicarboxybenzene, p-benzenedicarboxylic acid, p-carboxybenzoic acid, acide terephtalique, para-phthalic acid, tephthol, 1,4-dicarboxybenzene PubChem-CID: 7489 ChEBI: CHEBI:15702 IUPAC-Name: Terephthalsäure SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

Salicylsäure, 99+%, ACROS Organics™

CAS: 69-72-7 Summenformel: C7H6O3 Molare Masse (g/mol): 138.122 MDL-Nummer: MFCD00002439 InChI-Schlüssel: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonym: salicylic acid, o-hydroxybenzoic acid, 2-carboxyphenol, o-carboxyphenol, rutranex, salonil, retarder w, keralyt, duoplant, freezone PubChem-CID: 338 ChEBI: CHEBI:16914 IUPAC-Name: 2-Hydroxybenzoesäure SMILES: C1=CC=C(C(=C1)C(=O)O)O

4-Nitrobenzesäure 99+ %, ACROS Organics™

CAS: 62-23-7 Summenformel: C7H5NO4 Molare Masse (g/mol): 167.12 MDL-Nummer: MFCD00007352 InChI-Schlüssel: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid, p-nitrobenzoic acid, benzoic acid, 4-nitro, nitrodracylic acid, 4-nitrodracylic acid, 1-carboxy-4-nitrobenzene, benzoic acid, p-nitro, p-nitrobenzoicacid, p-nitrobenzenecarboxylic acid, kyselina p-nitrobenzoova PubChem-CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Thiosalicylsäure, 98 %, ACROS Organics™

CAS: 147-93-3 Summenformel: C7H6O2S Molare Masse (g/mol): 154.183 MDL-Nummer: MFCD00004836 InChI-Schlüssel: NBOMNTLFRHMDEZ-UHFFFAOYSA-N Synonym: thiosalicylic acid, 2-mercaptobenzoic acid, o-mercaptobenzoic acid, 2-thiosalicylic acid, o-thiosalicylic acid, 2-carboxythiophenol, o-benzoic acid thiol, o-carboxythiophenol, o-sulfhydrylbenzoic acid, benzoic acid, 2-mercapto PubChem-CID: 5443 ChEBI: CHEBI:59124 IUPAC-Name: 2-Sulfanylbenzoesäure SMILES: C1=CC=C(C(=C1)C(=O)O)S

Alfa Aesar™ Magnesiumsalicylat-Tetrahydrat, tech.

CAS: 18917-95-8 Summenformel: C14H12MgO7 Molare Masse (g/mol): 316.548 MDL-Nummer: MFCD00045815 InChI-Schlüssel: AUBLOSIEEGPKGL-UHFFFAOYSA-L Synonym: magnesium salicylate PubChem-CID: 131674114 IUPAC-Name: Magnesium;2-Hydroxybenzoesäure;2-Oxidobenzoat;-Hydrat SMILES: C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)[O-])[O-].O.[Mg+2]

Alfa Aesar™ 5-Aminosalicylsäure, 95 %

CAS: 89-57-6 Summenformel: C7H7NO3 Molare Masse (g/mol): 153.137 MDL-Nummer: MFCD00007877 InChI-Schlüssel: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid, mesalazine, mesalamine, pentasa, claversal, asacol, canasa, salofalk, rowasa, 5-asa PubChem-CID: 4075 ChEBI: CHEBI:6775 IUPAC-Name: 5-Amino-2-Hydroxybenzoesäure SMILES: C1=CC(=C(C=C1N)C(=O)O)O

Methyl 4-Hydroxybenzoat 99 %, ACROS Organics™

CAS: 99-76-3 Summenformel: C8H8O3 Molare Masse (g/mol): 152.15 MDL-Nummer: MFCD00002352 InChI-Schlüssel: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben, methyl paraben, methyl p-hydroxybenzoate, nipagin, methyl parahydroxybenzoate, maseptol, p-hydroxybenzoic acid methyl ester, 4-hydroxybenzoic acid methyl ester, p-carbomethoxyphenol, tegosept m PubChem-CID: 7456 ChEBI: CHEBI:31835 IUPAC-Name: Methyl 4-Hydroxybenzoat SMILES: COC(=O)C1=CC=C(C=C1)O

Methylvanillat, 99 %, Acros Organics™

CAS: 3943-74-6 Summenformel: C9H10O4 Molare Masse (g/mol): 182.18 MDL-Nummer: MFCD00008438 InChI-Schlüssel: BVWTXUYLKBHMOX-UHFFFAOYSA-N Synonym: methyl vanillate, methyl 3-methoxy-4-hydroxybenzoate, vanillic acid, methyl ester, 4-hydroxy-3-methoxybenzoic acid methyl ester, methylvanillate, benzoic acid, 4-hydroxy-3-methoxy-, methyl ester, vanillic acid methyl ester, unii-2hxg8qso3d, 2hxg8qso3d, vxx PubChem-CID: 19844 ChEBI: CHEBI:46477 IUPAC-Name: Methyl 4-Hydroxy-3-Methoxybenzoat SMILES: COC1=C(C=CC(=C1)C(=O)OC)O

Salicylsäure, für ACS-Analyse, +99 %, ACROS Organics™

CAS: 69-72-7 Summenformel: C7H6O3 Molare Masse (g/mol): 138.122 MDL-Nummer: MFCD00002439 InChI-Schlüssel: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonym: salicylic acid, o-hydroxybenzoic acid, 2-carboxyphenol, o-carboxyphenol, rutranex, salonil, retarder w, keralyt, duoplant, freezone PubChem-CID: 338 ChEBI: CHEBI:16914 IUPAC-Name: 2-Hydroxybenzoesäure SMILES: C1=CC=C(C(=C1)C(=O)O)O

Methylsalicylat, 99 %, ACROS Organics™

CAS: 119-36-8 Summenformel: C8H8O3 Molare Masse (g/mol): 152.15 MDL-Nummer: MFCD00002214 InChI-Schlüssel: OSWPMRLSEDHDFF-UHFFFAOYSA-N Synonym: methyl salicylate, wintergreen oil, gaultheria oil, betula oil, teaberry oil, sweet birch oil, oil of wintergreen, analgit, spicewood oil, 2-hydroxybenzoic acid methyl ester PubChem-CID: 4133 ChEBI: CHEBI:31832 IUPAC-Name: Methyl 2-Hydroxybenzoat SMILES: COC(=O)C1=CC=CC=C1O

Alfa Aesar™ Methylthiosalicylat, 97 %

CAS: 4892-02-8 Summenformel: C8H8O2S Molare Masse (g/mol): 168.21 MDL-Nummer: MFCD00060678 InChI-Schlüssel: 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-sulfanylbenzoat SMILES: COC(=O)C1=CC=CC=C1S

Alfa Aesar™ 2,5-Dimethoxybenzoesäure, 98+ %

CAS: 2785-98-0 Summenformel: C9H10O4 Molare Masse (g/mol): 182.175 MDL-Nummer: MFCD00002436 InChI-Schlüssel: 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-Dimethoxybenzoesäure SMILES: COC1=CC(=C(C=C1)OC)C(=O)O

2,3-Diaminobenzoesäure, 95 %, Acros Organics™

CAS: 603-81-6 Summenformel: C7H8N2O2 Molare Masse (g/mol): 152.15 InChI-Schlüssel: 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-diaminobenzoesäure SMILES: C1=CC(=C(C(=C1)N)N)C(=O)O

Alfa Aesar™ 4-Fluor-2-Iodbenzoesäure, 97 %

CAS: 56096-89-0 Summenformel: C7H4FIO2 Molare Masse (g/mol): 266.01 MDL-Nummer: MFCD04108278 InChI-Schlüssel: 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-Fluor-2-Iodbenzoesäure SMILES: C1=CC(=C(C=C1F)I)C(=O)O

Alfa Aesar™ 5-Methylsalicylsäure, 98 %

CAS: 89-56-5 Summenformel: C8H8O3 Molare Masse (g/mol): 152.149 MDL-Nummer: MFCD00002461 InChI-Schlüssel: 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-Methylbenzoesäure SMILES: CC1=CC(=C(C=C1)O)C(=O)O

2-Chlor-3-Methoxybenzoesäure, 97 %, ACROS Organics™

CAS: 33234-36-5 Summenformel: C8H7ClO3 Molare Masse (g/mol): 186.6 InChI-Schlüssel: 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-Chlor-3-Methoxybenzoesäure SMILES: COC1=CC=CC(=C1Cl)C(=O)O

Alfa Aesar™ 3-Brom-4-Methylbenzoesäure, 98+%

CAS: 7697-26-9 Summenformel: C8H7BrO2 Molare Masse (g/mol): 215.046 MDL-Nummer: MFCD00002488 InChI-Schlüssel: 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-Brom-4-Methylbenzoesäure SMILES: CC1=C(C=C(C=C1)C(=O)O)Br

Alfa Aesar™ 5-Chlor-2-hydroxybenzamid, 97 %

CAS: 7120-43-6 Summenformel: C7H6ClNO2 Molare Masse (g/mol): 171.58 MDL-Nummer: MFCD00007980 InChI-Schlüssel: 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-Chlor-2-hydroxybenzamid SMILES: C1=CC(=C(C=C1Cl)C(=O)N)O

Alfa Aesar™ 3-Iodbenzoesäure, 98 + %

CAS: 618-51-9 Summenformel: C7H5IO2 Molare Masse (g/mol): 248.019 MDL-Nummer: MFCD00002496 InChI-Schlüssel: 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-Iodbenzoesäure SMILES: C1=CC(=CC(=C1)I)C(=O)O

3,4-Aminocephalosporansäure, 99+ %, ACROS Organics™

CAS: 93-07-2 Summenformel: C9H10O4 Molare Masse (g/mol): 182.18 MDL-Nummer: MFCD00002500 InChI-Schlüssel: 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-Dimethoxybenzoesäure SMILES: COC1=C(C=C(C=C1)C(=O)O)OC

Alfa Aesar™ 2-Fluor-6-Methoxybenzamid, 98 %

CAS: 529512-81-0 Summenformel: C8H8FNO2 Molare Masse (g/mol): 169.155 MDL-Nummer: MFCD00277474 InChI-Schlüssel: 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-Fluor-6-methoxybenzamid SMILES: COC1=C(C(=CC=C1)F)C(=O)N

Alfa Aesar™ Methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropionat, 98 %

CAS: 32981-85-4 Summenformel: C17H17NO4 Molare Masse (g/mol): 299.326 MDL-Nummer: MFCD00673331 InChI-Schlüssel: UYJLJICUXJPKTB-LSDHHAIUSA-N Synonym: 2r,3s-methyl 3-benzamido-2-hydroxy-3-phenylpropanoate, methyl 2r,3s-3-benzoylamino-2-hydroxy-3-phenylpropanoate, bz-rs-iser 3-ph-ome, benzenepropanoic acid, beta-benzoylamino-alpha-hydroxy-, methyl ester, alphar,betas, methyl 2r,3s-3-benzamido-2-hydroxy-3-phenylpropanoate, 2r,3s-n-tert-butoxycarbony-3-phenylisoserine methyl ester, methyl 2r,3s-2-hydroxy-3-phenyl-3-phenylformamido propanoate, pubchem9699, n-benzoyl-2r,3s-3-phenylisoserine methyl ester, methyl 2r,3s-n-benzoylphenylisoserinate PubChem-CID: 182104 IUPAC-Name: Methyl(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoat SMILES: COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O

Natrium-amidotrizoat, 99 %, Acros Organics™

CAS: 737-31-5 Summenformel: C11H8I3N2NaO4 Molare Masse (g/mol): 635.9 InChI-Schlüssel: ZEYOIOAKZLALAP-UHFFFAOYSA-M Synonym: diatrizoate sodium, sodium diatrizoate, sodium amidotrizoate, hypaque sodium, triombrin, triombrine, hypaque, vascoray, hypaque cysto, hpaque-cysto PubChem-CID: 23672589 ChEBI: CHEBI:53692 IUPAC-Name: Natrium; 3,5-Diacetamido-2,4,6-Triiodobenzoat SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+]

Alfa Aesar™ 2,6-Dichlor-3-(trifluormethyl)benzoic acid, 97 %

CAS: 25922-41-2 Summenformel: C8H3Cl2F3O2 Molare Masse (g/mol): 259.005 MDL-Nummer: MFCD09743917 InChI-Schlüssel: WRNSEKNHEIXBES-UHFFFAOYSA-N Synonym: 2,6-dichloro-3-trifluoromethyl benzoic acid, 2,6-dichloro-3-trifluoromethyl-benzoic acid, 2,6-dichloro-3-trifluoromethyl benzoic acid, jrd PubChem-CID: 11680459 IUPAC-Name: 2,6-dichlor-3-(trifluormethyl)benzoesäure SMILES: C1=CC(=C(C(=C1C(F)(F)F)Cl)C(=O)O)Cl

Alfa Aesar™ Nitroterephthalsäure, 99 %

CAS: 610-29-7 Summenformel: C8H5NO6 Molare Masse (g/mol): 211.129 MDL-Nummer: MFCD00007141 InChI-Schlüssel: 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-dihydroxybenzoat, 97 %

CAS: 2150-43-8 Summenformel: C8H8O4 Molare Masse (g/mol): 168.148 MDL-Nummer: MFCD00016437 InChI-Schlüssel: 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-dihydroxybenzoat SMILES: COC(=O)C1=CC(=C(C=C1)O)O

Alfa Aesar™ 3-Brom-4-methoxybenzoesäure, 98+ %

CAS: 99-58-1 Summenformel: C8H7BrO3 Molare Masse (g/mol): 231.045 MDL-Nummer: MFCD00020295 InChI-Schlüssel: BBPZABXVRBFWGD-UHFFFAOYSA-N Synonym: 3-bromo-p-anisic acid, benzoic acid, 3-bromo-4-methoxy, 3-bromo-4-methoxybenzoicacid, akos bbb/210, rarechem al bo 0751, timtec-bb sbb009955, 4-methoxy-3-bromo benzoic acid, 3-bromanissaure, pubchem2675, 2-bromo-4-carboxyanisole PubChem-CID: 66836 IUPAC-Name: 3-Brom-4-methoxybenzoesäure SMILES: COC1=C(C=C(C=C1)C(=O)O)Br

Alfa Aesar™ 3,5-Dinitrobenzoesäure, 98+ %

CAS: 99-34-3 Summenformel: C7H4N2O6 Molare Masse (g/mol): 212.117 MDL-Nummer: MFCD00007253 InChI-Schlüssel: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid, dinitrobenzoic acid, dnba, benzoic acid, 3,5-dinitro, 3-carboxy-1,5-dinitrobenzene, 3,5-dinitro-benzoic acid, unii-4v3f9q018p, ccris 3129, 3,5-dnba, 3,5-dinitrobenzenecarboxylic acid PubChem-CID: 7433 ChEBI: CHEBI:73914 SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Alfa Aesar™ 4-Amino-3,5-Diiodbenzoesäure, tech. 90 %

CAS: 2122-61-4 Summenformel: C7H5I2NO2 Molare Masse (g/mol): 388.931 MDL-Nummer: MFCD00007684 InChI-Schlüssel: WXTVPMWCUMEVSZ-UHFFFAOYSA-N Synonym: benzoic acid, 4-amino-3,5-diiodo, 3,5-dijod-4-aminohippursaeure, 3,5-diiodo-4-aminobenzoic acid, 3,5-dijod-4-aminohippursaeure german, 4-amino-3,5-diiodo-benzoicacid, pubchem4681, acmc-1cq3z, wln: zr bi fi dvq, labotest-bb lt00080707, 4-amino-3,5-diiodo-benzoicaci PubChem-CID: 16460 IUPAC-Name: 4-amino-3,5-diiodbenzoesäure SMILES: C1=C(C=C(C(=C1I)N)I)C(=O)O

Alfa Aesar™ Methyl 2,4-difluorbenzoat, 98 %

CAS: 106614-28-2 Summenformel: C8H6F2O2 Molare Masse (g/mol): 172.131 MDL-Nummer: MFCD03093799 InChI-Schlüssel: YQUHULOBTDYMAG-UHFFFAOYSA-N Synonym: 2,4-difluoro-benzoic acid methyl ester, 2,4-difluorobenzoic acid methyl ester, methyl-2,4-difluorobenzoate, methyl 2,4-difluoro benzoate, benzoic acid, 2,4-difluoro-, methyl ester, pubchem15678, acmc-1c4sx, methyl 2,4-diflourobenzoate, ksc494g3p, rarechem al bf 0213 PubChem-CID: 2782897 IUPAC-Name: Methyl2,4-difluorbenzoat SMILES: COC(=O)C1=C(C=C(C=C1)F)F

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