Benzoic acids and derivatives

Alfa Aesar™ Salicylic acid, 99%

CAS: 69-72-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00002439 InChI Key: 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-hydroxybenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)O

Acetylsalicylic acid, 99%, ACROS Organics™

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: 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: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)O

Terephthalic acid, 99+%, Acros Organics

CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: 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: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

Salicylic acid, sodium salt, 99+%, ACROS Organics™

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: 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+]

Bis(2-ethylhexyl) terephthalate, 97%, Acros Organics™

CAS: 6422-86-2 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.55 MDL Number: MFCD00072256 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate, kodaflex dotp, di-2-ethylhexyl terephthalate, 1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester, terephthalic acid, bis 2-ethylhexyl ester, eastman 168, ccris 7052, di 2-ethylhexyl terephthalate, bis 2-ethylhexyl benzene-1,4-dicarboxylate, 1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

Butyl 4-hydroxybenzoate, 99+%, Acros Organics

CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016478 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N Synonym: butylparaben, butyl paraben, butyl p-hydroxybenzoate, nipabutyl, butoben, butyl chemosept, butyl parasept, butyl tegosept, butyl butex, tegosept butyl PubChem CID: 7184 IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

Salicylic Acid, Extra Pure, SLR, Fisher Chemical

CAS: 69-72-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: 2439 InChI Key: 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-hydroxybenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)O

Alfa Aesar™ n-Pentyl 4-hydroxybenzoate, 98%

CAS: 6521-29-5 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00016479 InChI Key: ZNSSPLQZSUWFJT-UHFFFAOYSA-N Synonym: amyl 4-hydroxybenzoate, pentyl p-hydroxybenzoate, pentylparaben, n-pentyl 4-hydroxybenzoate, benzoic acid, 4-hydroxy-, pentyl ester, p-hydroxybenzoic acid pentyl ester, pentyl paraben, unii-sjv2e4c7dm, p-oxybenzoesaurepentylester, amyl4-hydroxybenzoate PubChem CID: 23019 IUPAC Name: pentyl 4-hydroxybenzoate SMILES: CCCCCOC(=O)C1=CC=C(C=C1)O

Alfa Aesar™ Sodium salicylate, 99%

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: 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+]

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

Methyl 4-hydroxybenzoate, 99%, Acros Organics

CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002352 InChI Key: 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-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O

Tannic acid, ACS reagent, ACROS Organics™

CAS: 1401-55-4 Molecular Formula: C76H52O46 Molecular Weight (g/mol): 1701.206 MDL Number: MFCD00066397 InChI Key: LRBQNJMCXXYXIU-JPZKJCTESA-N Synonym: 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(

3-Chloroperoxybenzoic acid, 70-75%, balance 3-Chlorobenzoic acid and water, ACROS Organics™

CAS: 937-14-4 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.57 MDL Number: MFCD00002127 InChI Key: NHQDETIJWKXCTC-UHFFFAOYSA-N Synonym: 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: 3-chlorobenzenecarboperoxoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)OO

5,5'-Dithiobis-(2-nitrobenzoic acid), 99%, ACROS Organics™

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: 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-]

Gallic Acid 98%, ACROS Organics™

CAS: 149-91-7 Molecular Formula: C7H6O5 Molecular Weight (g/mol): 170.12 MDL Number: MFCD00002510 InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-N Synonym: 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: 3,4,5-trihydroxybenzoic acid SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O

4-Nitrobenzoic acid, 99+%, Acros Organics

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: 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-]

Methyl Salicylate, Extra Pure, SLR, Fisher Chemical

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: 2214 InChI Key: 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-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

Salicylhydroxamic acid, 99%, Acros Organics

CAS: 89-73-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 InChI Key: HBROZNQEVUILML-UHFFFAOYSA-N Synonym: salicylhydroxamic acid, 2-hydroxybenzohydroxamic acid, salicylohydroxamic acid, sham, salicylohydroximic acid, benzamide, n,2-dihydroxy, 2-hydroxybenzhydroxamic acid, o-hydroxybenzohydroxamic acid, sha, 2,n-dihydroxy-benzamide PubChem CID: 66644 ChEBI: CHEBI:45615 IUPAC Name: N,2-dihydroxybenzamide SMILES: C1=CC=C(C(=C1)C(=O)NO)O

Tannic Acid, ACS, Alfa Aesar

CAS: 1401-55-4 Molecular Formula: C76H52O46 Molecular Weight (g/mol): 1701.206 MDL Number: MFCD00066397 InChI Key: LRBQNJMCXXYXIU-JPZKJCTESA-N Synonym: 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(

Ethyl 4-hydroxybenzoate, 99%, Acros Organics

CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben, ethyl paraben, ethyl p-hydroxybenzoate, mycocten, ethyl parasept, 4-hydroxybenzoic acid ethyl ester, easeptol, ethyl butex, ethyl parahydroxybenzoate, tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O

Alfa Aesar™ tert-Butyl peroxybenzoate, 98%

CAS: 614-45-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008802 InChI Key: GJBRNHKUVLOCEB-UHFFFAOYSA-N Synonym: tert-butyl peroxybenzoate, tert-butyl perbenzoate, t-butyl perbenzoate, chaloxyd tbpb, perbutyl z, esperox 10, novox, trigonox c, tert-butyl peroxy benzoate, terc.butylperbenzoan PubChem CID: 11966 IUPAC Name: tert-butyl benzenecarboperoxoate SMILES: CC(C)(C)OOC(=O)C1=CC=CC=C1

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™ Magnesium salicylate tetrahydrate, tech.

CAS: 18917-95-8 Molecular Formula: C14H12MgO7 Molecular Weight (g/mol): 316.548 MDL Number: MFCD00045815 InChI Key: AUBLOSIEEGPKGL-UHFFFAOYSA-L Synonym: magnesium salicylate PubChem CID: 131674114 IUPAC Name: magnesium;2-hydroxybenzoic acid;2-oxidobenzoate;hydrate SMILES: C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)[O-])[O-].O.[Mg+2]

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