Benzoic acids and derivatives

Alfa Aesar™ 3,4,5-Trihydroxybenzoic acid, anhydrous, 99%

CAS: 149-91-7 Fórmula molecular: C7H6O5 Molecular Weight (g/mol): 170.12 Número MDL: MFCD00002510 InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-N Sinónimo: 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

Alfa Aesar™ 3,4,5-Trihydroxybenzoic acid monohydrate, 99%

CAS: 5995-86-8 Fórmula molecular: C7H8O6 Molecular Weight (g/mol): 188.135 Número MDL: MFCD00149098 InChI Key: IUTKPPDDLYYMBE-UHFFFAOYSA-N Sinónimo: 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

4-Nitrobenzoic acid, 99+%, ACROS Organics™

CAS: 62-23-7 Fórmula molecular: C7H5NO4 Molecular Weight (g/mol): 167.12 Número MDL: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Sinónimo: 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-]

Gallic Acid 98%, ACROS Organics™

CAS: 149-91-7 Fórmula molecular: C7H6O5 Molecular Weight (g/mol): 170.12 Número MDL: MFCD00002510 InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-N Sinónimo: 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

Alfa Aesar™ Sodium salicylate, 99%

CAS: 54-21-7 Fórmula molecular: C7H5NaO3 Molecular Weight (g/mol): 160.104 Número MDL: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Sinónimo: 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+]

Terephthalic acid, 99+%, ACROS Organics™

CAS: 100-21-0 Fórmula molecular: C8H6O4 Molecular Weight (g/mol): 166.13 Número MDL: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Sinónimo: 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

Alfa Aesar™ Salicylic acid, 99%

CAS: 69-72-7 Fórmula molecular: C7H6O3 Molecular Weight (g/mol): 138.122 Número MDL: MFCD00002439 InChI Key: YGSDEFSMJLZEOE-UHFFFAOYSA-N Sinónimo: 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

2-Aminoterephthalic acid, 99%, ACROS Organics™

CAS: 10312-55-7 Fórmula molecular: C8H7NO4 Molecular Weight (g/mol): 181.15 Número MDL: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-N Sinónimo: 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

3,5-Diaminobenzoic acid, 98%, ACROS Organics™

CAS: 535-87-5 Fórmula molecular: C7H8N2O2 Molecular Weight (g/mol): 152.15 Número MDL: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Sinónimo: benzoic acid, 3,5-diamino, 1-carboxy-3,5-diaminobenzene, ccris 2885, 3,5-diamino benzoic acid, 3,5-diaminobenzoicacid, dabz, pubchem21025, 3,5-diaminebenzoicacid, acmc-1awxi, 3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

4-Amino-3,5-dichlorobenzoic acid, 98+%, ACROS Organics™

CAS: 56961-25-2 Fórmula molecular: C7H5Cl2NO2 Molecular Weight (g/mol): 206.03 Número MDL: MFCD00017091 InChI Key: UHXYYTSWBYTDPD-UHFFFAOYSA-N Sinónimo: 3,5-dichloro-4-aminobenzoic acid, unii-bik7ns3b2f, benzoic acid, 4-amino-3,5-dichloro, bik7ns3b2f, 4-amino-3,5-dichlorobenzoicacid, pubchem14451, acmc-209xmx, 4-14-00-01279 beilstein handbook reference, ksc495s0n, 4-carboxy-2,6-dichloroaniline PubChem CID: 42061 IUPAC Name: 4-amino-3,5-dichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)N)Cl)C(=O)O

4-Aminobenzoic Acid, 99%, ACROS Organics™

CAS: 150-13-0 Fórmula molecular: C7H7NO2 Molecular Weight (g/mol): 137.14 Número MDL: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Sinónimo: 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

Tannic Acid, ACS, Alfa Aesar™

CAS: 1401-55-4 Fórmula molecular: C76H52O46 Molecular Weight (g/mol): 1701.206 Número MDL: MFCD00066397 InChI Key: LRBQNJMCXXYXIU-JPZKJCTESA-N Sinónimo: 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(

4-Aminosalicylic acid, 99%, ACROS Organics™

CAS: 65-49-6 Fórmula molecular: C7H7NO3 Molecular Weight (g/mol): 153.14 Número MDL: MFCD00007789 InChI Key: WUBBRNOQWQTFEX-UHFFFAOYSA-N Sinónimo: 4-aminosalicylic acid, aminosalicylic acid, p-aminosalicylic acid, rezipas, pamisyl, parasalindon, aminopar, deapasil, ferrosan, apacil PubChem CID: 4649 ChEBI: CHEBI:27565 IUPAC Name: 4-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)O)C(=O)O

Propyl gallate, 98%, ACROS Organics™

CAS: 121-79-9 Fórmula molecular: C10H12O5 Molecular Weight (g/mol): 212.2 Número MDL: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Sinónimo: 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

Pentafluorobenzoyl chloride, 98%, ACROS Organics™

CAS: 2251-50-5 Fórmula molecular: C7ClF5O Molecular Weight (g/mol): 230.52 InChI Key: MYHOHFDYWMPGJY-UHFFFAOYSA-N Sinónimo: 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

Tannic Acid, Honeywell Fluka™

CAS: 1401-55-4 Fórmula molecular: C76H52O46 Molecular Weight (g/mol): 1701.206 Número MDL: MFCD00066397 InChI Key: LRBQNJMCXXYXIU-JPZKJCTESA-N Sinónimo: 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(

Alfa Aesar™ 2-Chloro-4,5-difluorobenzoic acid, 98%

CAS: 110877-64-0 Fórmula molecular: C7H3ClF2O2 Molecular Weight (g/mol): 192.546 Número MDL: MFCD00077479 InChI Key: CGFMLBSNHNWJAW-UHFFFAOYSA-N Sinónimo: 2-chloro-4,5-difluoro-benzoic acid, 2'-chloro-4',5'-difluorobenzoic acid, benzoic acid, 2-chloro-4,5-difluoro, pubchem1339, ksc177o4l, rarechem al bo 1000, timtec-bb sbb003616, 2-chloro-4,5-difluorobenzoic acid, benzoicacid, 2-chloro-4,5-difluoro PubChem CID: 737171 IUPAC Name: 2-chloro-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Cl)C(=O)O

Alfa Aesar™ Methyl 3-cyano-5-fluorobenzoate, 98%

CAS: 886732-29-2 Fórmula molecular: C9H6FNO2 Molecular Weight (g/mol): 179.15 Número MDL: MFCD08688582 InChI Key: YZDWAFGKJVAXAM-UHFFFAOYSA-N Sinónimo: 3-cyano-5-fluorobenzoic acid methyl ester, benzoic acid, 3-cyano-5-fluoro-, methyl ester PubChem CID: 26597287 IUPAC Name: methyl 3-cyano-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)C#N)F

Alfa Aesar™ Ethyl 3,4,5-trimethoxybenzoate, 98%

CAS: 6178-44-5 Fórmula molecular: C12H16O5 Molecular Weight (g/mol): 240.255 Número MDL: MFCD00017525 InChI Key: UEOFNBCUGJADBM-UHFFFAOYSA-N Sinónimo: 3,4,5-trimethoxybenzoic acid ethyl ester, ethyl 3,4,5-trimethoxy benzoate, ethyltrimethoxy benzoate, acmc-1b7mp, ethyl 3,4,5-trimethoxybenzoate;, benzoic acid,3,4,5-trimethoxy-, ethyl ester, benzoic acid, 3,4,5-trimethoxy-, ethyl ester PubChem CID: 231162 IUPAC Name: ethyl 3,4,5-trimethoxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Alfa Aesar™ 4-Bromo-2,3,5,6-tetrafluorobenzoyl chloride, 98%

CAS: 122033-54-9 Fórmula molecular: C7BrClF4O Molecular Weight (g/mol): 291.424 Número MDL: MFCD03001173 InChI Key: XVYIQLOULDERAO-UHFFFAOYSA-N Sinónimo: 4-bromo-2,3,5,6-tetrafluorobenzoylchloride, benzoyl chloride,4-bromo-2,3,5,6-tetrafluoro, acmc-20amnz, 4-bromanyl-2,3,5,6-tetrakis fluoranyl benzoyl chloride PubChem CID: 2783245 IUPAC Name: 4-bromo-2,3,5,6-tetrafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(=O)Cl

Alfa Aesar™ (S)-(+)-N-(3,5-Dinitrobenzoyl)-1-phenylethylamine, 98%

CAS: 69632-31-1 Fórmula molecular: C15H13N3O5 Molecular Weight (g/mol): 315.285 Número MDL: MFCD00064498 InChI Key: ABEVDCGKLRIYRW-JTQLQIEISA-N Sinónimo: 3,5-dinitro-n-1s-1-phenylethyl benzamide, s-+-3,5-dinitro-n-1-phenylethyl benzamide, s-+-n-3,5-dinitrobenzoyl-1-phenylethylamine, n-s-1-phenylethyl-3,5-dinitrobenzamide, benzamide,3,5-dinitro-n-1s-1-phenylethyl, b-+-n-3,5-dinitrobenzoyl-alpha-methylbenzylamine, s-+-n-3,5-dinitrobenzoyl-, a-methylbenzylamine, 3-hydroxyazonoyl-5-1s-1-phenylethyl carbamoyl phenyl azinic acid PubChem CID: 5712038 IUPAC Name: 3,5-dinitro-N-[(1S)-1-phenylethyl]benzamide SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Alfa Aesar™ (-)-Epicatechin gallate

CAS: 1257-08-5 Fórmula molecular: C22H18O10 Molecular Weight (g/mol): 442.376 Número MDL: MFCD00075936 InChI Key: LSHVYAFMTMFKBA-TZIWHRDSSA-N Sinónimo: --epicatechin gallate, epicatechin gallate, --epicatechin-3-o-gallate, l-epicatechin gallate, --epicatechin-3-gallate, --epicatechingallate, epicatechin monogallate, --epicatechin 3-o-gallate, teatannin, epicatechol, gallate PubChem CID: 107905 ChEBI: CHEBI:70255 IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Alfa Aesar™ Isopropyl salicylate, 99%

CAS: 607-85-2 Fórmula molecular: C10H12O3 Molecular Weight (g/mol): 180.203 Número MDL: MFCD00035703 InChI Key: YEULQIJMIOWCHB-UHFFFAOYSA-N Sinónimo: isopropyl salicylate, isopropyl 2-hydroxybenzoate, salicylic acid, isopropyl ester, iso-propyl salicylate, salicylic acid isopropyl ester, isopropyl o-hydroxybenzoate, benzoic acid, 2-hydroxy-, 1-methylethyl ester, 1-methylethyl 2-hydroxybenzoate, methylethyl 2-hydroxybenzoate, opropyl salicylate PubChem CID: 11838 ChEBI: CHEBI:38703 IUPAC Name: propan-2-yl 2-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1O

5-Methoxy-2-nitrobenzoic acid, 97%, ACROS Organics™

CAS: 1882-69-5 Fórmula molecular: C8H7NO5 Molecular Weight (g/mol): 197.15 Número MDL: MFCD00151836 InChI Key: URADKXVAIGMTEG-UHFFFAOYSA-N Sinónimo: 5-methoxy-2-nitrobenzoic acid, 2-nitro-5-methoxybenzoic acid, 6-nitro-m-anisic acid, 5-methoxy-2-nitro-benzoic acid, benzoic acid, 5-methoxy-2-nitro, pubchem4229, acmc-1brd6, 2-nitro-5-methoxybenzoate, 2-nitro-5-methoxybenzoicacid, 5-methoxy-2-nitrobenzoicacid PubChem CID: 339209 SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Alfa Aesar™ 4-Methoxy-3-(trifluoromethyl)benzoic acid, 97%

CAS: 213598-09-5 Fórmula molecular: C9H7F3O3 Molecular Weight (g/mol): 220.147 Número MDL: MFCD01091014 InChI Key: VNWUPESTVBTYJM-UHFFFAOYSA-N Sinónimo: 4-methoxy-3-trifluoromethyl benzoic acid, 4-methoxy-3-trifluoromethyl-benzoic acid, acmc-1cr7h, 3-trifluoromethyl-4-methoxybenzoic acid, benzoic acid, 4-methoxy-3-trifluoromethyl, 4-methyloxy-3-trifluoromethyl benzoic acid PubChem CID: 2775295 IUPAC Name: 4-methoxy-3-(trifluoromethyl)benzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)C(F)(F)F

Alfa Aesar™ 3-Chloro-4-ethoxy-5-fluorobenzoic acid, 97%

CAS: 1017778-72-1 Fórmula molecular: C9H8ClFO3 Molecular Weight (g/mol): 218.608 Número MDL: MFCD09832336 InChI Key: UZGWOMNUSFRIRW-UHFFFAOYSA-N Sinónimo: 3-chloro-4-ethoxy-5-fluorobenzoic acid, jrd PubChem CID: 46737656 IUPAC Name: 3-chloro-4-ethoxy-5-fluorobenzoic acid SMILES: CCOC1=C(C=C(C=C1Cl)C(=O)O)F

Alfa Aesar™ Methyl 4-amino-3-hydroxybenzoate, 98%

CAS: 63435-16-5 Fórmula molecular: C8H9NO3 Molecular Weight (g/mol): 167.164 Número MDL: MFCD00017093 InChI Key: OCZXDVNSNDITBS-UHFFFAOYSA-N Sinónimo: methyl-4-amino-3-hydroxybenzoate, benzoic acid, 4-amino-3-hydroxy-, methyl ester, methyl 4-amino-3-hydroxy-benzoate, methyl 4-amino-3-hydroxybenzenecarboxylate, methyl4-amino-3-hydroxybenzoate, pubchem3149, acmc-1b7ml, 2-amino-5-methoxycarbonylphenol, methyl3-hydroxy-4-aminobenzoate, 2-hydroxy 4-carbomethoxy aniline PubChem CID: 7020619 IUPAC Name: methyl 4-amino-3-hydroxybenzoate SMILES: COC(=O)C1=CC(=C(C=C1)N)O

Alfa Aesar™ 4-Fluoro-3-(1-pyrrolidinylcarbonyl)benzeneboronic acid, 98%

CAS: 874219-31-5 Fórmula molecular: C11H13BFNO3 Molecular Weight (g/mol): 237.037 Número MDL: MFCD08235050 InChI Key: AOICJNUBSAKHMW-UHFFFAOYSA-N Sinónimo: 4-fluoro-3-pyrrolidine-1-carbonyl phenylboronic acid, 4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronic acid, 4-fluoro-3-pyrrolidin-1-ylcarbonyl benzeneboronic acid, 4-fluoro-3-pyrrolidin-1-yl carbonyl phenyl boronic acid, acmc-209qkw, 5-borono-2-fluorophenyl carbonylpyrrolidine, 4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronicacid, 4-fluoranyl-3-pyrrolidin-1-ylcarbonyl-phenyl boronic acid PubChem CID: 44717537 IUPAC Name: [4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)F)C(=O)N2CCCC2)(O)O

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