Benzoic acids and derivatives

Alfa Aesar™ Diatrizoic acid

CAS: 117-96-4 Molecular Formula: C11H9I3N2O4 Molecular Weight (g/mol): 613.916 MDL Number: MFCD00069960 InChI Key: YVPYQUNUQOZFHG-UHFFFAOYSA-N Synonym: diatrizoic acid, amidotrizoic acid, diatrizoate, amidotrizoate, urogranoic acid, urografin acid, odiston, urotrast, diat, diatriazoate PubChem CID: 2140 ChEBI: CHEBI:53691 IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I

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™ 3-Amino-5-nitrobenzoic acid, 98%

CAS: 618-84-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00017025 InChI Key: ZNVHAQRPXAQKRU-UHFFFAOYSA-N Synonym: 3-amino-5-nitrobenzoic acid, 3-amino-5-nitro-benzoic acid, benzoic acid, 3-amino-5-nitro, 3-amino-5-nitrobenzoicacid, 5-amino-3-nitrobenzoic acid, acmc-20ana2, 3-nitro-5-aminobenzoic acid, 5-nitro-3-aminobenzoic acid, benzoic acid,3-amino-5-nitro, 3-amino-5-nitrobenzoic acid 1g PubChem CID: 239342 SMILES: C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)O

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

CAS: 937-14-4 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.564 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

Gallic acid monohydrate, ACROS Organics™

CAS: 5995-86-8 Molecular Formula: C7H8O6 Molecular Weight (g/mol): 188.135 MDL Number: MFCD00149098 InChI Key: IUTKPPDDLYYMBE-UHFFFAOYSA-N Synonym: 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: 3,4,5-trihydroxybenzoic acid;hydrate SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O.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+]

Tannic acid, 95%, 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(

Methyl salicylate, 99%, ACROS Organics™

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002214 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

2-Aminoterephthalic acid, 99%, Acros Organics™

CAS: 10312-55-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-N Synonym: 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: 2-aminoterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)C(=O)O

Alfa Aesar™ 2-Aminobenzamide, 98+%

CAS: 88-68-6 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Synonym: anthranilamide, benzamide, 2-amino, o-aminobenzamide, 2-carbamoylaniline, aminobenzamide, anthranilimidic acid, benzamide, o-amino, anthranilic acid amide, anthranilamide van, o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N

Alfa Aesar™ Methyl vanillate, 99%

CAS: 3943-74-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00008438 InChI Key: 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-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)OC)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+]

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

Propyl gallate 98%, ACROS Organics™

CAS: 121-79-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Synonym: propyl gallate, n-propyl gallate, progallin p, tenox pg, nipagallin p, gallic acid, propyl ester, gallic acid propyl ester, nipa 49, benzoic acid, 3,4,5-trihydroxy-, propyl ester, 3,4,5-trihydroxybenzene-1-propylcarboxylate PubChem CID: 4947 ChEBI: CHEBI:10607 IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

Alfa Aesar™ 2-Amino-3,4-dimethylbenzoic acid, 98+%

CAS: 50419-58-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00130041 InChI Key: MUOBMUYSNYMSDM-UHFFFAOYSA-N Synonym: 2-amino-3,4-dimethyl-benzoic acid, 3,4-dimethylanthranilic acid, benzoic acid, 2-amino-3,4-dimethyl, pubchem4683, acmc-1aomr, ksc272a3h, 2-amino-3,4-dimethyl benzoic acid PubChem CID: 282450 IUPAC Name: 2-amino-3,4-dimethylbenzoic acid SMILES: CC1=C(C(=C(C=C1)C(=O)O)N)C

4-Mercaptobenzoic acid, 90%, ACROS Organics™

CAS: 1074-36-8 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 MDL Number: MFCD00016617 InChI Key: LMJXSOYPAOSIPZ-UHFFFAOYSA-N Synonym: 4-mercaptobenzoic acid, 4-mercaptobenzoate, benzoic acid, 4-mercapto, 4-mercapto-benzoic acid, 4-mercapto benzoic acid, 4-thiobenzoic acid, p-mercaptobenzoic acid, benzoic acid, p-mercapto, para-mercaptobenzoate, paracarboxythiophenol PubChem CID: 95738 IUPAC Name: 4-sulfanylbenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)S

Alfa Aesar™ Dimethyl 5-nitroisophthalate, 98+%

CAS: 13290-96-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00008429 InChI Key: GGTSJKFPGKFLCZ-UHFFFAOYSA-N Synonym: dimethyl 5-nitroisophthalate, 5-nitroisophthalic acid dimethyl ester, 5-nitroisophthalic acid, dimethyl ester, 1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester, dimethyl 5-nitro-1,3-benzenedicarboxylate, isophthalic acid, 5-nitro-, dimethyl ester, 1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate, 5-nitro dimethyl isophthalate, 5-nitro-1,3-benzenedicarboxylic acid dimethyl ester, 1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester PubChem CID: 83316 IUPAC Name: dimethyl 5-nitrobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

Thiosalicylic acid, 98%, ACROS Organics™

CAS: 147-93-3 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 MDL Number: MFCD00004836 InChI Key: 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-sulfanylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)S

Folinic acid, calcium salt pentahydrate, 95.0-105.0%, ACROS Organics™

CAS: 6035-45-6 Molecular Formula: C20H31CaN7O12 Molecular Weight (g/mol): 601.583 MDL Number: MFCD00149465 InChI Key: NPPBLUASYYNAIG-UHFFFAOYSA-L Synonym: folinic acid calcium pentahydrate PubChem CID: 131674093 IUPAC Name: calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate SMILES: C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]

Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical

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+]

Alfa Aesar™ 3-(Pentafluorothio)benzoyl chloride, 97%

CAS: 401892-81-7 Molecular Formula: C7H4ClF5OS Molecular Weight (g/mol): 266.61 MDL Number: MFCD03788522 InChI Key: IDHIADOQLRPGHK-UHFFFAOYSA-N Synonym: 3-pentafluorosulfanyl benzoyl chloride, 3-pentafluoro-??-sulfanyl benzoyl chloride, 3-pentafluorothio benzoyl chloride, 3-pentafluorosulfur benzoyl chloride, 3-pentafluoro-$l^ 6-sulfanyl benzoyl chloride, 3-pentafluoro-lambda6-sulfanyl benzoyl chloride PubChem CID: 2779213 IUPAC Name: 3-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)Cl

Alfa Aesar™ 3,5-Dimethoxy-4-methylbenzoic acid, 97%

CAS: 61040-81-1 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00017506 InChI Key: QIBMVRYNEXOCCF-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-4-methyl-benzoic acid, benzoic acid,3,5-dimethoxy-4-methyl, 3,5-dimethoxy-4-methylbenzoicacid, acmc-1b58y, 3,5-dimethoxy4-methylbenzoic acid, 4-methyl-3,5-dimethoxybenzoic acid, 3,5-dimethoxy-p-toluic acid, labotest-bb lt00455447, 3,5-dimethoxy-4-methyl benzoic acid, 3,5-di-methoxy-4-methyl-benzoic acid PubChem CID: 3764486 IUPAC Name: 3,5-dimethoxy-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1OC)C(=O)O)OC

Alfa Aesar™ 3,5-Dichlorobenzoic acid, 99%

CAS: 51-36-5 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 MDL Number: MFCD00002494 InChI Key: CXKCZFDUOYMOOP-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dichloro, 3,5-dichloro-benzoic acid, unii-7baa7r70gn, 7baa7r70gn, ccris 8611, acmc-209ktc, 3,5-dichlorobenzoicacid, 3,5-dichlorobenzic acid, 3 5-dichlorobenzoic acid, dsstox_cid_4981 PubChem CID: 5811 IUPAC Name: 3,5-dichlorobenzoic acid SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)O

Vanillic acid, 98%, Alfa Aesar™

CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid, acide vanillique, p-vanillic acid, benzoic acid, 4-hydroxy-3-methoxy, 3-methoxy-4-hydroxybenzoic acid, vanillate, m-anisic acid, 4-hydroxy, protocatechuic acid, 3-methyl ester, 4-hydroxy-3-methoxy-benzoic acid, unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)O

Alfa Aesar™ Metoclopramide hydrochloride

CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.272 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N PubChem CID: 441347 ChEBI: CHEBI:6899 IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;hydrochloride SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl

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-Aminobenzoic Acid, 99%, ACROS Organics™

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: 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

Alfa Aesar™ Thimerosal

CAS: 54-64-8 Molecular Formula: C9H9HgNaO2S Molecular Weight (g/mol): 404.811 MDL Number: MFCD00013062 InChI Key: RTKIYNMVFMVABJ-UHFFFAOYSA-L Synonym: thimerosal, thiomersal, thiomersalate, mercurothiolate, sodium merthiolate, sodium ethylmercurithiosalicylate, merthiolate, thimerosalate, thimerosalum, thimersalate PubChem CID: 16684434 ChEBI: CHEBI:9546 IUPAC Name: sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury SMILES: CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]

3-Nitrophthalic acid, 95%, ACROS Organics™

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid, 3-nitrobenzene-1,2-dicarboxylic acid, phthalic acid, 3-nitro, 1,2-benzenedicarboxylic acid, 3-nitro, 3-nitro phthalic acid, 3-nitro-phthalic acid, 3-nitrophthalicacid, nitrophthalic acid, 3-nitrophtalic acid, m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

Alfa Aesar™ Methotrexate disodium salt, 98.5%

CAS: 7413-34-5 Molecular Formula: C20H20N8Na2O5 Molecular Weight (g/mol): 498.411 MDL Number: MFCD00274560 InChI Key: DASQOOZCTWOQPA-GXKRWWSZSA-L Synonym: methotrexate disodium salt, sodium methotrexate, ledertrexate, methotrexate sodium, mtx disodium, methotrexate disodium, unii-3ig1e710zn, trexall, mexate, methotrexate lpf PubChem CID: 11329481 ChEBI: CHEBI:50679 IUPAC Name: disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

  spinner