Benzoic acids and derivatives

4-hydroxybenzoate de méthyle, 99 %, Acros Organics

N° CAS: 99-76-3 Formule moléculaire: C8H8O3 Molecular Weight (g/mol): 152.15 Numéro MDL: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonyme: 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: 4-hydroxybenzoate de méthyle SMILES: COC(=O)C1=CC=C(C=C1)O

Acide 3-chloroperoxybenzoïque, 70-75 %, équilibre acide 3-chlorobenzoïque et eau, ACROS Organics™

N° CAS: 937-14-4 Formule moléculaire: C7H5ClO3 Molecular Weight (g/mol): 172.57 Numéro MDL: MFCD00002127 InChI Key: NHQDETIJWKXCTC-UHFFFAOYSA-N Synonyme: 3-chloroperoxybenzoic acid, 3-chloroperbenzoic acid, mcpba, m-chloroperbenzoic acid, m-chloroperoxybenzoic acid, meta-chloroperoxybenzoic acid, benzenecarboperoxoic acid, 3-chloro, m-chlorobenzoyl hydroperoxide, meta-chloroperbenzoic acid, 3-chlorobenzoperoxoic acid PubChem CID: 70297 ChEBI: CHEBI:52091 IUPAC Name: Acide3-chlorobenzènecarboperoxoïque SMILES: C1=CC(=CC(=C1)Cl)C(=O)OO

Alfa Aesar™ Acide salicylique, 99 %

N° CAS: 69-72-7 Formule moléculaire: C7H6O3 Molecular Weight (g/mol): 138.122 Numéro MDL: MFCD00002439 InChI Key: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonyme: salicylic acid, o-hydroxybenzoic acid, 2-carboxyphenol, o-carboxyphenol, rutranex, salonil, retarder w, keralyt, duoplant, freezone PubChem CID: 338 ChEBI: CHEBI:16914 IUPAC Name: Acide 2-hydroxybenzoïque SMILES: C1=CC=C(C(=C1)C(=O)O)O

Acide 5,5’-dithiobis-(2-acide nitrobenzoïque), 99 %, ACROS Organics™

N° CAS: 69-78-3 Formule moléculaire: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 Numéro MDL: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonyme: dtnb, 5,5'-dithiobis 2-nitrobenzoic acid, ellman's reagent, 3-carboxy-4-nitrophenyl disulfide, dithionitrobenzoic acid, dithiobisnitrobenzoic acid, 5,5'-disulfanediylbis 2-nitrobenzoic acid, benzoic acid, 3,3'-dithiobis 6-nitro, 3,3'-dithiobis 6-nitrobenzoic acid, 5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 SMILES: C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

p-Aminobenzoic acid, 99.82%, MP Biomedicals™

N° CAS: 150-13-0 Formule moléculaire: C7H7NO2 Molecular Weight (g/mol): 137.138 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonyme: p-aminobenzoic acid, paba, para-aminobenzoic acid, vitamin bx, sunbrella, p-carboxyaniline, 4-carboxyaniline, hachemina, paraminol, benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)N

Acide salicylique, extra pur, SLR, Fisher Chemical

N° CAS: 69-72-7 Formule moléculaire: C7H6O3 Molecular Weight (g/mol): 138.122 Numéro MDL: 2439 InChI Key: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonyme: salicylic acid, o-hydroxybenzoic acid, 2-carboxyphenol, o-carboxyphenol, rutranex, salonil, retarder w, keralyt, duoplant, freezone PubChem CID: 338 ChEBI: CHEBI:16914 IUPAC Name: acide 2-hydroxybenzoïque SMILES: C1=CC=C(C(=C1)C(=O)O)O

Acide salicylique, sel de sodium, 99+ %, ACROS Organics™

N° CAS: 54-21-7 Formule moléculaire: C7H5NaO3 Molecular Weight (g/mol): 160.104 Numéro MDL: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonyme: sodium salicylate, sodium 2-hydroxybenzoate, salsonin, clin, enterosalicyl, enterosalil, entrosalyl, glutosalyl, kerasalicyl, magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium ; 2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

Alfa Aesar™ Salicylate de sodium, 99 %

N° CAS: 54-21-7 Formule moléculaire: C7H5NaO3 Molecular Weight (g/mol): 160.104 Numéro MDL: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonyme: sodium salicylate, sodium 2-hydroxybenzoate, salsonin, clin, enterosalicyl, enterosalil, entrosalyl, glutosalyl, kerasalicyl, magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium ; 2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

Propyl 4-hydroxybenzoate, 99 +%, ACROS Organics™

N° CAS: 94-13-3 Formule moléculaire: C10H12O3 Molecular Weight (g/mol): 180.2 Numéro MDL: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonyme: propylparaben, propyl paraben, 4-hydroxybenzoic acid propyl ester, propyl p-hydroxybenzoate, nipasol, nipazol, propyl butex, betacide p, propyl parahydroxybenzoate, propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: 4-hydroxybenzoate de propyle SMILES: CCCOC(=O)C1=CC=C(C=C1)O

Alfa Aesar™ Réserpine, 99 %

N° CAS: 50-55-5 Formule moléculaire: C33H40N2O9 Molecular Weight (g/mol): 608.688 Numéro MDL: MFCD00005091 InChI Key: QEVHRUUCFGRFIF-MDEJGZGSSA-N Synonyme: reserpine, serpalan, serpasil, serpivite, apoplon, deserpine, elserpine, hiserpia, hypersil, raunervil PubChem CID: 5770 ChEBI: CHEBI:28487 IUPAC Name: Méthyl (1R,15S,17R,18S,19S,20S)-6,18-diméthoxy-17-(3,4,5-triméthoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodécahydroyohimban-19-carboxylate SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

4-nitrobenzoate d’éthyle, 99 %, ACROS Organics™

N° CAS: 99-77-4 Formule moléculaire: C9H9NO4 Molecular Weight (g/mol): 195.17 Numéro MDL: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonyme: ethyl p-nitrobenzoate, benzoic acid, 4-nitro-, ethyl ester, 4-nitrobenzoic acid ethyl ester, ethyl nitrobenzoate, para ester, p-nitrobenzoic acid, ethyl ester, 4-ethoxycarbonyl nitrobenzene, benzoic acid, p-nitro-, ethyl ester, ethyl-p-nitrobenzoate, unii-1och6y8nar, ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: 4-nitrobenzoate d’éthyle SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Acide téréphthalique, + de 99 %, Acros Organics

N° CAS: 100-21-0 Formule moléculaire: C8H6O4 Molecular Weight (g/mol): 166.13 Numéro MDL: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonyme: 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: Acide téréphtalique SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

Acide pentafluorobenzoïque, 99 %, ACROS Organics™

N° CAS: 602-94-8 Formule moléculaire: C7HF5O2 Molecular Weight (g/mol): 212.07 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonyme: 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-acide pentafluorobenzoïque SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)O

Acide 4-aminobenzoïque, 99+ %, ACROS Organics™

N° CAS: 150-13-0 Formule moléculaire: C7H7NO2 Molecular Weight (g/mol): 137.14 Numéro MDL: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonyme: p-aminobenzoic acid, paba, para-aminobenzoic acid, vitamin bx, sunbrella, p-carboxyaniline, 4-carboxyaniline, hachemina, paraminol, benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: Acide 4-aminobenzoïque SMILES: C1=CC(=CC=C1C(=O)O)N

Acide gallique monohydraté, ACROS Organics™

N° CAS: 5995-86-8 Formule moléculaire: C7H8O6 Molecular Weight (g/mol): 188.135 Numéro MDL: MFCD00149098 InChI Key: IUTKPPDDLYYMBE-UHFFFAOYSA-N Synonyme: gallic acid monohydrate, 3,4,5-trihydroxybenzoic acid hydrate, galop hydrate, 3,4,5-trihydroxybenzoic acid monohydrate, gallicum acidum, benzoic acid, 3,4,5-trihydroxy-, hydrate, gallic acid, monohydrate, gallicacidmonohydrate, gallic acid, acs, acmc-1ary0 PubChem CID: 24721416 IUPAC Name: Acide 3,4,5-trihydroxybenzoïque ; hydrate SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O.O

5(6)-carboxyfluorescéine, Acros Organics

N° CAS: 72088-94-9 Formule moléculaire: C21H12O7 Molecular Weight (g/mol): 376.32 Numéro MDL: MFCD00151081 InChI Key: BPVHBBXCESDRKW-UHFFFAOYSA-N Synonyme: 5 6-fam, 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1, 5-and-6-fam, 5-and-6-carboxyfluorescein, 5-carboxyfluorescein; carboxyfluorescein, 5 6-carboxyfluorescein, dye content 90 %, 5 6-carboxyfluorescein; carboxyfluorescein, 5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc, 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1, 4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid PubChem CID: 44119975 IUPAC Name: Acide3’,6-dihydroxy-1-oxospiro[2-benzofuran-3,9’-xanthène]-5- carboxylique ; Acide3’,6-dihydroxy-3-oxospiro[2-benzofuran-1,9’-xanthène]-5-carboxylique SMILES: C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Acide 4-méthylsalicylique, 98 %, ACROS Organics™

N° CAS: 50-85-1 Formule moléculaire: C8H8O3 Molecular Weight (g/mol): 152.15 Numéro MDL: MFCD00002454 InChI Key: NJESAXZANHETJV-UHFFFAOYSA-N Synonyme: 4-methylsalicylic acid, m-cresotic acid, 2,4-cresotic acid, m-cresotinic acid, 2-hydroxy-p-toluic acid, m-homosalicylic acid, 4-methyl-2-hydroxybenzoic acid, gamma-cresotic acid, benzoic acid, 2-hydroxy-4-methyl, 4-methylsalicylate PubChem CID: 5788 ChEBI: CHEBI:20450 IUPAC Name: Acide 2-hydroxy-4-méthylbenzoïque SMILES: CC1=CC(=C(C=C1)C(=O)O)O

Acide 2-aminotéréphtalique, 99 %, Acros Organics™

N° CAS: 10312-55-7 Formule moléculaire: C8H7NO4 Molecular Weight (g/mol): 181.15 Numéro MDL: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-N Synonyme: aminoterephthalic acid, 2-aminobenzene-1,4-dicarboxylic acid, 2-amino-1,4-benzenedicarboxylic acid, 4-carboxyanthranilic acid, 1,4-benzenedicarboxylic acid, 2-amino, 2-aminoterephthalic, aminoterephthalicacid, 2,5-dicarboxyaniline, 2-aminoterephtalic acid, timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: Acide 2-aminotéréphtalique SMILES: C1=CC(=C(C=C1C(=O)O)N)C(=O)O

Alfa Aesar™ Acide o-acétylsalicylique, 99%

N° CAS: 50-78-2 Formule moléculaire: C9H8O4 Molecular Weight (g/mol): 180.159 Numéro MDL: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonyme: aspirin, acetylsalicylic acid, 2-acetoxybenzoic acid, 2-acetyloxy benzoic acid, acetylsalicylate, o-acetylsalicylic acid, o-acetoxybenzoic acid, acylpyrin, polopiryna, easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: Acide2-acétyloxybenzoïque SMILES: CC(=O)OC1=CC=CC=C1C(=O)O

Acide 5-aminosalicylique, 99 %, Acros Organics

N° CAS: 89-57-6 Formule moléculaire: C7H7NO3 Molecular Weight (g/mol): 153.14 Numéro MDL: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonyme: 5-aminosalicylic acid, mesalazine, mesalamine, pentasa, claversal, asacol, canasa, salofalk, rowasa, 5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: Acide 5-amino-2-hydroxybenzoïque SMILES: C1=CC(=C(C=C1N)C(=O)O)O

Ester d’acide galique, 98 %, ACROS Organics™

N° CAS: 149-91-7 Formule moléculaire: C7H6O5 Molecular Weight (g/mol): 170.12 Numéro MDL: MFCD00002510 InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-N Synonyme: gallic acid, gallate, benzoic acid, 3,4,5-trihydroxy, gallic acid, tech., galop, pyrogallol-5-carboxylic acid, kyselina gallova, 3,4,5-trihydroxybenzoate, ccris 5523, kyselina gallova czech PubChem CID: 370 ChEBI: CHEBI:30778 IUPAC Name: Acide 3,4,5-trihydroxybenzoïque SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O

Acide glycyrrhétinique, 99+ %, ACROS Organics™

N° CAS: 69-72-7 Formule moléculaire: C7H6O3 Molecular Weight (g/mol): 138.122 Numéro MDL: MFCD00002439 InChI Key: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonyme: salicylic acid, o-hydroxybenzoic acid, 2-carboxyphenol, o-carboxyphenol, rutranex, salonil, retarder w, keralyt, duoplant, freezone PubChem CID: 338 ChEBI: CHEBI:16914 IUPAC Name: Acide 2-hydroxybenzoïque SMILES: C1=CC=C(C(=C1)C(=O)O)O

Acide tannique, 95 %, ACROS Organics™

N° CAS: 1401-55-4 Formule moléculaire: C76H52O46 Molecular Weight (g/mol): 1701.206 Numéro MDL: MFCD00066397 InChI Key: LRBQNJMCXXYXIU-JPZKJCTESA-N Synonyme: tannins, gallotannic acid, quebracho extract, acide tannique, d'acide tannique, tannic acid usp:jan, unii-28f9e0djy6 PubChem CID: 134129492 SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(

Acide 4-nitrobenzoïque, 99+ %, Acros Organics

N° CAS: 62-23-7 Formule moléculaire: C7H5NO4 Molecular Weight (g/mol): 167.12 Numéro MDL: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonyme: 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-]

Acide salicylique, pour l’analyse ACS, +99 %, ACROS Organics™

N° CAS: 69-72-7 Formule moléculaire: C7H6O3 Molecular Weight (g/mol): 138.122 Numéro MDL: MFCD00002439 InChI Key: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonyme: salicylic acid, o-hydroxybenzoic acid, 2-carboxyphenol, o-carboxyphenol, rutranex, salonil, retarder w, keralyt, duoplant, freezone PubChem CID: 338 ChEBI: CHEBI:16914 IUPAC Name: Acide 2-hydroxybenzoïque SMILES: C1=CC=C(C(=C1)C(=O)O)O

Alfa Aesar™ Methyl 3,4,5-trihydroxybenzoate, 98 %

N° CAS: 99-24-1 Formule moléculaire: C8H8O5 Molecular Weight (g/mol): 184.147 Numéro MDL: MFCD00002194 InChI Key: FBSFWRHWHYMIOG-UHFFFAOYSA-N Synonyme: methyl gallate, gallic acid methyl ester, methylgallate, benzoic acid, 3,4,5-trihydroxy-, methyl ester, gallic acid, methyl ester, methyl galloate, unii-623d3xg80c, ccris 5567, 3,4,5-trihydroxybenzoic acid methyl ester, chembl65675 PubChem CID: 7428 IUPAC Name: méthyl 3,4,5-trihydroxybenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)O)O)O

Alfa Aesar™ Acide éthylènediaminetétraacétique, ACS, 99+ %

N° CAS: 69-72-7 Formule moléculaire: C7H6O3 Molecular Weight (g/mol): 138.122 Numéro MDL: MFCD00002439 InChI Key: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonyme: salicylic acid, o-hydroxybenzoic acid, 2-carboxyphenol, o-carboxyphenol, rutranex, salonil, retarder w, keralyt, duoplant, freezone PubChem CID: 338 ChEBI: CHEBI:16914 IUPAC Name: Acide 2-hydroxybenzoïque SMILES: C1=CC=C(C(=C1)C(=O)O)O

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