Benzoic acids and derivatives

Alfa Aesar™ 4-Bromobenzoic acid, 98+%

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid, benzoic acid, 4-bromo, p-carboxybromobenzene, benzoic acid, p-bromo, p-bromobenzenecarboxylic acid, 4-bromo-benzoic acid, 4-brom-benzoesaeure, 4-carboxybromobenzene, para bromo benzoic acid, 4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

3-Bromo-2,6-dimethoxybenzoic acid, ≥97%, Maybridge™

CAS: 73219-89-3 Molecular Formula: C9H9BrO4 Molecular Weight (g/mol): 261.071 MDL Number: MFCD00052933 InChI Key: CUQANLQRQJHIQE-UHFFFAOYSA-N Synonym: maybridge1_001596, acmc-1bfe7, 2,6-dimethoxy-3-bromobenzoic acid, benzoic acid,3-bromo-2,6-dimethoxy, benzoic acid, 3-bromo-2,6-dimethoxy PubChem CID: 2774744 IUPAC Name: 3-bromo-2,6-dimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)Br)OC)C(=O)O

Alfa Aesar™ 3,5-Dibromobenzamide, 97%

CAS: 175205-85-3 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 MDL Number: MFCD00178771 InChI Key: IOFGMNBDIDEBIQ-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzoic acid amide, acmc-20andi, 3,5-dibromo-benzamide, maybridge1_007750, 3,5-bis bromanyl benzamide, 3,5-dibromobenzamide PubChem CID: 2735937 IUPAC Name: 3,5-dibromobenzamide SMILES: C1=C(C=C(C=C1Br)Br)C(=O)N

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

CAS: 1085-12-7 Molecular Formula: C14H20O3 Molecular Weight (g/mol): 236.311 MDL Number: MFCD00016481 InChI Key: ZTJORNVITHUQJA-UHFFFAOYSA-N Synonym: heptylparaben, heptyl paraben, heptyl p-hydroxybenzoate, n-heptyl 4-hydroxybenzoate, nipaheptyl, staypro ws 7, n-heptyl p-hydroxybenzoate, benzoic acid, 4-hydroxy-, heptyl ester, p-hydroxybenzoic acid heptyl ester, p-oxybenzoesaureheptylester PubChem CID: 14138 ChEBI: CHEBI:34788 IUPAC Name: heptyl 4-hydroxybenzoate SMILES: CCCCCCCOC(=O)C1=CC=C(C=C1)O

Alfa Aesar™ Salicylhydroxamic acid, 99%

CAS: 89-73-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00002110 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

Alfa Aesar™ 2-Fluoro-4-(4-fluoro-2-nitrophenylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449144-94-8 Molecular Formula: C13H9BF2N2O5 Molecular Weight (g/mol): 322.031 MDL Number: MFCD20040308 InChI Key: JSRCTYHYPFPKJW-UHFFFAOYSA-N Synonym: 2-fluoro-4-4-fluoro-2-nitrophenylcarbamoyl benzeneboronic acid, 2-fluoro-4-4-fluoro-2-nitrophenyl carbamoyl phenylboronic acid PubChem CID: 73996130 IUPAC Name: [2-fluoro-4-[(4-fluoro-2-nitrophenyl)carbamoyl]phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])F)(O)O

Alfa Aesar™ 2-Chloro-6-fluoro-3-methoxybenzoic acid, 97%

CAS: 886499-40-7 Molecular Formula: C8H6ClFO3 Molecular Weight (g/mol): 204.581 MDL Number: MFCD04115942 InChI Key: UXTMPKFTDKMFOF-UHFFFAOYSA-N Synonym: 2-chloro-6-fluoro-3-methoxy-benzoic acid, benzoic acid,2-chloro-6-fluoro-3-methoxy PubChem CID: 3699961 IUPAC Name: 2-chloro-6-fluoro-3-methoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)F)C(=O)O)Cl

4-Dimethylaminobenzoic acid, 98%, ACROS Organics™

CAS: 619-84-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00002537 InChI Key: YDIYEOMDOWUDTJ-UHFFFAOYSA-N Synonym: 4-dimethylamino benzoic acid, benzoic acid, 4-dimethylamino, benzoic acid, p-dimethylamino, p-dimethylaminobenzoic acid, n,n-dimethyl-p-aminobenzoic acid, n,n-dimethyl-4-aminobenzoic acid, p-n,n-dimethylamino benzoic acid, p-dimethylamino benzoic acid, unii-d1ma908ev0, 4-n,n-dimethylamino benzoic acid PubChem CID: 12092 IUPAC Name: 4-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=C(C=C1)C(=O)O

Alfa Aesar™ 1-(2-Fluorobenzoyl)pyrrolidine, 97%

CAS: 347909-09-5 Molecular Formula: C11H12FNO Molecular Weight (g/mol): 193.221 MDL Number: MFCD00460952 InChI Key: AZBXHPRYPHBYCV-UHFFFAOYSA-N Synonym: 1-2-fluorobenzoyl pyrrolidine, 2-fluorophenyl 1-pyrrolidinyl methanone, 2-fluorophenyl-pyrrolidin-1-ylmethanone PubChem CID: 3497148 IUPAC Name: (2-fluorophenyl)-pyrrolidin-1-ylmethanone SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2F

Alfa Aesar™ 4-Methylsalicylic acid, 99%

CAS: 50-85-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002454 InChI Key: NJESAXZANHETJV-UHFFFAOYSA-N Synonym: 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: 2-hydroxy-4-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)O

2-Iodosobenzoic acid, 98%, ACROS Organics™

CAS: 304-91-6 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.02 InChI Key: IFPHDUVGLXEIOQ-UHFFFAOYSA-N Synonym: 2-iodosobenzoic acid, o-iodosobenzoic acid, o-iodosylbenzoic acid, o-iodosobenzoate, benzoic acid, 2-iodosyl, benzoic acid, o-iodoso, 2-iodosyl benzoate, benzoic acid, iodosyl, ortho-iodosylbenzoic acid, 3h-1,2-benziodoxol-1-ium, 3-oxo-, hydroxide PubChem CID: 67537 ChEBI: CHEBI:52698 IUPAC Name: 2-iodosylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I=O

Alfa Aesar™ Ethyl 4-bromobenzoate, 98+%

CAS: 5798-75-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00016329 InChI Key: XZIAFENWXIQIKR-UHFFFAOYSA-N Synonym: 4-bromobenzoic acid ethyl ester, ethyl p-bromobenzoate, benzoic acid, 4-bromo-, ethyl ester, ethyl4-bromobenzoate, ethyl-4-bromobenzoate, p-ethoxycarbonyl phenyl bromide, benzoic acid, p-bromo-, ethyl ester, 4-bromo-benzoic acid ethyl ester, 4-bromobenzoic acid, ethyl ester, ethyl-p-bromobenzoate PubChem CID: 22043 IUPAC Name: ethyl 4-bromobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)Br

Alfa Aesar™ 2-Fluoro-5-nitrobenzoic acid, 98%

CAS: 7304-32-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00134238 InChI Key: ICXSHFWYCHJILC-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrobenzoic acid, 2-fluoro-5-nitrobenzoicacid, 2-fluoro-5-nitro-benzoic acid, benzoic acid, 2-fluoro-5-nitro, 2-fluoro-5-nitro-benzoicacid, pubchem1307, acmc-209op6, ksc377e3h, 2-fluoro-5-nitrobenzotc acid, 2-fluoro-5-nitro benzoic acid PubChem CID: 280997 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)F

Alfa Aesar™ 3-Fluoro-5-(pentafluorothio)benzamide, 97%

CAS: 1240256-88-5 Molecular Formula: C7H5F6NOS Molecular Weight (g/mol): 265.173 MDL Number: MFCD16652428 InChI Key: HOLSCWIIFRPMDH-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur benzamide, 3-fluoro-5-pentafluoro-??-sulfanyl benzamide, 3-fluoro-5-pentafluorothio benzamide PubChem CID: 66523469 IUPAC Name: 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide SMILES: C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)C(=O)N

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

CAS: 884497-46-5 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD05863683 InChI Key: YKEJVXMOMKWEPV-UHFFFAOYSA-N Synonym: methyl3-amino-5-fluorobenzoate, methyl 5-amino-3-fluorobenzoate, 5-amino-3-fluorobenzoic acid methyl ester, 3-amino-5-fluoro-benzoic acid methyl ester PubChem CID: 3807862 IUPAC Name: methyl 3-amino-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)F)N

Alfa Aesar™ N-alpha-Benzoyl-L-arginine p-nitroanilide hydrochloride

CAS: 21653-40-7 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: bz-arg-pna.hcl, s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride, nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride, bani, s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride, l-bapna, 2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride, bz-arg-pna-hcl, bz-arg-pna hcl, bz-arg-pna . hcl PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

Alfa Aesar™ 2,3-Dimethoxybenzoic acid, 99%

CAS: 1521-38-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002432 InChI Key: FODBVCSYJKNBLO-UHFFFAOYSA-N Synonym: o-veratric acid, benzoic acid, 2,3-dimethoxy, benzoic acid, dimethoxy, 2,3-dimethoxy benzoic acid, dimethoxybenzoic acid,2,3, o-veratric acid 6ci,7ci,8ci, 2,3-dimethoxybenzoicacid, dimethoxybenzoic acid, pubchem4948, 2,3-dimethoxy-benzoicaci PubChem CID: 15204 IUPAC Name: 2,3-dimethoxybenzoic acid SMILES: COC1=CC=CC(=C1OC)C(=O)O

Alfa Aesar™ 3-Methoxy-2-(trifluoromethyl)benzoic acid, 97%

CAS: 1214384-93-6 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.147 MDL Number: MFCD13185681 InChI Key: UOBKAUNYVVOXMY-UHFFFAOYSA-N Synonym: 3-methoxy-2-trifluoromethyl benzoic acid PubChem CID: 73012640 IUPAC Name: 3-methoxy-2-(trifluoromethyl)benzoic acid SMILES: COC1=CC=CC(=C1C(F)(F)F)C(=O)O

Alfa Aesar™ 3-Bromo-5-iodobenzoic acid, 97%

CAS: 188815-32-9 Molecular Formula: C7H4BrIO2 Molecular Weight (g/mol): 326.915 MDL Number: MFCD00191851 InChI Key: MKJBJYCBKXPQSY-UHFFFAOYSA-N Synonym: 5-bromo-3-iodobenzoic acid, 3-bromo-5-iodo-benzoic acid, 3-bromo-5-iodobenzoicacid, benzoic acid, 3-bromo-5-iodo, 3-iodo-5-bromobenzoic acid, pubchem3788, acmc-209erv, 3-bromo-5-iodobenzoic aicd, 3-bromo-5-iodo benzoic acid, 5-iodo-3-bromo-benzoic acid PubChem CID: 5182520 IUPAC Name: 3-bromo-5-iodobenzoic acid SMILES: C1=C(C=C(C=C1Br)I)C(=O)O

Alfa Aesar™ (-)-Epicatechin gallate

CAS: 1257-08-5 Molecular Formula: C22H18O10 Molecular Weight (g/mol): 442.376 MDL Number: MFCD00075936 InChI Key: LSHVYAFMTMFKBA-TZIWHRDSSA-N Synonym: --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™ n-Octyl 4-hydroxybenzoate, 98%

CAS: 1219-38-1 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.338 MDL Number: MFCD00016482 InChI Key: RIKCMEDSBFQFAL-UHFFFAOYSA-N Synonym: octylparaben, n-octyl 4-hydroxybenzoate, octyl paraben, octyl p-hydroxybenzoate, p-hydroxybenzoic acid octyl ester, benzoic acid, 4-hydroxy-, octyl ester, p-oxybenzoesaureoctylester, 4-hydroxybenzoic acid n-octyl ester, unii-4uvk431k6b, p-oxybenzoesaureoctylester german PubChem CID: 14642 IUPAC Name: octyl 4-hydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC=C(C=C1)O

Alfa Aesar™ 5-Methyl-2-nitrobenzoic acid, 98+%

CAS: 3113-72-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007368 InChI Key: QRRSIFNWHCKMSW-UHFFFAOYSA-N Synonym: 5-methyl-2-nitrobenzoic acid, 2-nitro-5-methylbenzoic acid, benzoic acid, 5-methyl-2-nitro, 3-methyl-6-nitrobenzoic acid, 6-nitro-m-toluic acid, m-toluic acid, 6-nitro, 6-nitro-p-toluic acid, 5-methyl-2-nitrobenzoicacid, 5-methyl-2-nitro-benzoic acid, benzoic acid,5-methyl-2-nitro PubChem CID: 18371 SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Alfa Aesar™ 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride, 97%

CAS: 151096-42-3 Molecular Formula: C7BrClF4O Molecular Weight (g/mol): 291.424 MDL Number: MFCD03001174 InChI Key: FLVURBOAHUGHCH-UHFFFAOYSA-N Synonym: benzoyl chloride,2-bromo-3,4,5,6-tetrafluoro, 2-bromo-3,4,5,6-tetrafluorobenzoylchloride, acmc-1c3i6, 2-bromo-3,4,5,6-tetrafluoro-benzoyl chloride, 2-bromanyl-3,4,5,6-tetrakis fluoranyl benzoyl chloride PubChem CID: 2783243 IUPAC Name: 2-bromo-3,4,5,6-tetrafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1Br)F)F)F)F)C(=O)Cl

Alfa Aesar™ 4-Amino-3-nitrobenzoic acid, 97%

CAS: 1588-83-6 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00017009 InChI Key: ZZNAYFWAXZJITH-UHFFFAOYSA-N Synonym: 4-amino-3-nitrobenzoic acid, 3-nitro-4-aminobenzoic acid, benzoic acid, 4-amino-3-nitro, 4-carboxy-2-nitroaniline, 3-nitro-4-aminobenozic acid, 4-amino-3-nitro-benzoic acid, 4-amino-3-nitrobenzoicacid, pubchem4982, rarechem al bo 0261, 2-nitro-4-carboxyaniline PubChem CID: 74115 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N

Alfa Aesar™ 4-Carboxy-3-chlorobenzeneboronic acid, 97%

CAS: 136496-72-5 Molecular Formula: C7H6BClO4 Molecular Weight (g/mol): 200.381 MDL Number: MFCD06656268 InChI Key: QFAFGWXQNDYXPZ-UHFFFAOYSA-N Synonym: 4-carboxy-3-chlorophenylboronic acid, 3-chloro-4-carboxyphenylboronic acid, 4-carboxy-3-chlorobenzeneboronic acid, 2-chloro-4-dihydroxyboranyl benzoic acid, 4-carboxy-3-chlorobenzeneboronicacid, pubchem5134, 4-carboxy-3, akos brn-0544, acmc-1cuk9, ksc174k1d PubChem CID: 14903223 IUPAC Name: 4-borono-2-chlorobenzoic acid SMILES: B(C1=CC(=C(C=C1)C(=O)O)Cl)(O)O

Alfa Aesar™ 4-Fluorosalicylic acid, 98%

CAS: 345-29-9 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.112 MDL Number: MFCD00153168 InChI Key: TTZOLDXHOCCNMF-UHFFFAOYSA-N Synonym: 4-fluorosalicylic acid, 4-fluorosalicyclic acid, 2-hydroxy-4-fluorobenzoic acid, 4-fluoro-2-hydroxy-benzoic acid, fluorohydroxybenzoicacid5, benzoic acid, 4-fluoro-2-hydroxy, 4-fluorosalicylicacid, zlchem 109, pubchem3493 PubChem CID: 67661 IUPAC Name: 4-fluoro-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1F)O)C(=O)O

Methyl 2,6-dihydroxybenzoate, 97%, ACROS Organics™

CAS: 2150-45-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 InChI Key: WCQZCKUNZVMBDC-UHFFFAOYSA-N Synonym: 2,6-dihydroxybenzoic acid methyl ester, benzoic acid, 2,6-dihydroxy-, methyl ester, .gamma.-resorcylic acid, methyl ester, acmc-209fl9, 2-methoxycarbonyl resorcinol, methyl 2,6-dihydroxy benzoate, gamma-resorcylic acid methyl ester, methyl 2,6-dihydroxybenzoate, methyl-2,6-dihydroxybenzoate, 2-methoxycarbonyl benzene-1,3-diol PubChem CID: 519869 IUPAC Name: methyl 2,6-dihydroxybenzoate SMILES: COC(=O)C1=C(C=CC=C1O)O

Alfa Aesar™ 2-Chloro-4-fluorobenzoyl chloride, 97%

CAS: 21900-54-9 Molecular Formula: C7H3Cl2FO Molecular Weight (g/mol): 192.998 MDL Number: MFCD00084954 InChI Key: POIAZJJVWRVLBO-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzoylchloride, 2-chloro-4-fluoro-benzoyl chloride, 2-chloro-4-fluorobenzene-1-carbonyl chloride, benzoyl chloride, 2-chloro-4-fluoro, benzoyl chloride,2-chloro-4-fluoro, acmc-20anzq, ksc547s3d, 2-chlor-4-fluorbenzoylchlorid, 2chloro-4-fluorobenzoyl chloride, 4-fluoro-2-chlorobenzoyl chloride PubChem CID: 2736546 IUPAC Name: 2-chloro-4-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1F)Cl)C(=O)Cl

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