Nitrobenzoic acids and derivatives

Alfa Aesar™ 4-Fluoro-3-nitrobenzoic acid, 98%

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzoic acid PubChem CID: 67987 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F

Alfa Aesar™ 5,5'-Dithiobis(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.344 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: 3,3'-dithiobis 6-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-]

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

CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 3-nitro-4-bromomethyl benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr

3,5-Dinitrobenzoic Acid 99%, ACROS Organics™

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitro-benzoic acid PubChem CID: 7433 ChEBI: CHEBI:73914 SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Alfa Aesar™ 4,5-Dimethoxy-2-nitrobenzoic acid, 98%

CAS: 4998-07-6 Molecular Formula: C9H8NO6 Molecular Weight (g/mol): 226.17 MDL Number: MFCD00014697 InChI Key: WWCMFGBGMJAJRX-UHFFFAOYSA-M Synonym: 2-nitro-4,5-dimethoxybenzoic acid PubChem CID: 78690 SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC

Alfa Aesar™ 2-Methyl-3,5-dinitrobenzoic acid, 98%

CAS: 28169-46-2 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.144 MDL Number: MFCD00007161 InChI Key: CDVNZMKTJIBBBV-UHFFFAOYSA-N Synonym: 2-methyl-3,5-dinitro-benzoic acid PubChem CID: 98824 SMILES: CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

3-Nitrophthalic acid, 95%, ACROS Organics™

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 3-nitro PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

2-Hydroxy-4-nitrobenzoic acid, 97%, ACROS Organics™

CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 2-hydroxy-4-nitro-benzoic acid PubChem CID: 69266 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)C(=O)O

Alfa Aesar™ 5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%

CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.314 MDL Number: MFCD00153851 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: nppb, 5-nitro-2-3-phenylpropylamino benzoic acid, unii-3a35o9g3yz, 5-nitro-2-3-phenylpropyl amino benzoic acid, benzoic acid,5-nitro-2-3-phenylpropyl amino, benzoic acid, 5-nitro-2-3-phenylpropyl amino, 5-nitro-2-3-phenylpropylamino-benzoic acid, 5-nitro-2-phenylpropylaminobenzoic acid nppb, 5-nitro-2-3-phenylpropylamino benzoic acid nppb, spectrum_001814 PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-(3-phenylpropylamino)benzoic acid SMILES: C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Alfa Aesar™ Methyl 3-nitrobenzoate, 98+%

CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitro-benzoic acid methyl ester PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Alfa Aesar™ 2-Nitro-4-(trifluoromethyl)benzoic acid, 98%

CAS: 320-94-5 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00007142 InChI Key: MYSAXQPTXWKDPQ-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl benzoic acid PubChem CID: 642096 SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

4-Fluoro-3-nitrobenzoic acid, 98%, ACROS Organics™

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzoic acid PubChem CID: 67987 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F

Alfa Aesar™ Methyl 4-fluoro-3-nitrobenzoate, 98%

CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: 4-carbomethoxy-2-nitrofluorobenzene PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)F)[N+](=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: 1-carboxy-4-nitrobenzene PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

2-Methyl-6-nitrobenzoic Anhydride 98.0+%, TCI America™

CAS: 434935-69-0 Molecular Formula: C16H12N2O7 Molecular Weight (g/mol): 344.279 MDL Number: MFCD06797117 InChI Key: YEKPNMQQSPHKBP-UHFFFAOYSA-N Synonym: 6-Nitro-o-toluic Anhydride, MNBA PubChem CID: 10472648 IUPAC Name: (2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

Alfa Aesar™ 3-Hydroxy-2-nitrobenzoic acid, 98+%

CAS: 602-00-6 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017003 InChI Key: KPDBKQKRDJPBRM-UHFFFAOYSA-N Synonym: 2-nitro-3-hydroxybenzoic acid PubChem CID: 293291 SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O

3-Nitrobenzoic Acid, 98%, ACROS Organics™

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitro-benzoic acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

2-Nitroisophthalic Acid 95.0+%, TCI America™

CAS: 21161-11-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00017007 InChI Key: CAHWDGJDQYAFHM-UHFFFAOYSA-N PubChem CID: 88806 SMILES: C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O

Alfa Aesar™ 2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

2-Chloro-5-nitrobenzoic Acid, 99+%, ACROS Organics™

CAS: 2516-96-3 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitro-benzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

NPPB, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.314 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: 5-nitro-2-3-phenylpropyl amino benzoic acid PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-(3-phenylpropylamino)benzoic acid SMILES: C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Alfa Aesar™ 2,6-Dimethoxy-3-nitrobenzoic acid, 97%

CAS: 55776-17-5 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017324 InChI Key: YIKBQFPTPKEFSM-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-3-nitro-benzoic acid PubChem CID: 3085094 IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O

3-Hydroxy-4-nitrobenzoic Acid 98%, ACROS Organics™

CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 SMILES: C1=CC(=C(C=C1C(=O)O)O)[N+](=O)[O-]

2-Chloro-4-nitrobenzoic Acid 98%, ACROS Organics™

CAS: 99-60-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitro benzoic acid PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

2-Nitro-5-thiocyanatobenzoic Acid 97.0+%, TCI America™

CAS: 30211-77-9 Molecular Formula: C8H4N2O4S Molecular Weight (g/mol): 224.19 MDL Number: MFCD00007139 InChI Key: NQUNIMFHIWQQGJ-UHFFFAOYSA-N PubChem CID: 92266 IUPAC Name: 2-nitro-5-thiocyanatobenzoic acid SMILES: C1=CC(=C(C=C1SC#N)C(=O)O)[N+](=O)[O-]

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: 3,3'-dithiobis 6-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-]

Alfa Aesar™ Methyl 4-nitrobenzoate, 99%

CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

MilliporeSigma™ 5,5'-Dithio-bis-(2-nitrobenzoic Acid), Calbiochem™,

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.344 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: 3,3'-dithiobis 6-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-]

Alfa Aesar™ Methyl 3,5-dinitrobenzoate, 98%

CAS: 2702-58-1 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.144 MDL Number: MFCD00017016 InChI Key: POGCCFLNFPIIGW-UHFFFAOYSA-N Synonym: 3,5-dinitro-benzoic acid methyl ester PubChem CID: 222067 IUPAC Name: methyl 3,5-dinitrobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

2-Fluoro-5-nitrobenzoic Acid 98.0+%, TCI America™

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-nitro benzoic acid PubChem CID: 280997 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)F

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