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Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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Keyword Search:
1 – 15 of 217 results
1

Methyl 2-methoxy-5-nitrobenzoate, 98%

CAS: 34841-11-7 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.173 MDL Number: MFCD00673023 InChI Key: DOBFJVVTBNTGCW-UHFFFAOYSA-N Synonym: 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757 PubChem CID: 7020925 IUPAC Name: methyl 2-methoxy-5-nitrobenzoate SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 7020925
CAS 34841-11-7
Molecular Weight (g/mol) 211.173
MDL Number MFCD00673023
SMILES COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757
IUPAC Name methyl 2-methoxy-5-nitrobenzoate
InChI Key DOBFJVVTBNTGCW-UHFFFAOYSA-N
Molecular Formula C9H9NO5
2

Methyl 2-hydroxy-5-nitrobenzoate, 98%

CAS: 17302-46-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00024695 InChI Key: UUBFELFUKFJSRD-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate PubChem CID: 87041 SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O

PubChem CID 87041
CAS 17302-46-4
Molecular Weight (g/mol) 197.146
MDL Number MFCD00024695
SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
Synonym methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate
InChI Key UUBFELFUKFJSRD-UHFFFAOYSA-N
Molecular Formula C8H7NO5
3

2-Methoxy-4-nitrobenzoic acid, 98%

CAS: 2597-56-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00216573 InChI Key: KPJXEWJRJKEOCD-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb PubChem CID: 75776 IUPAC Name: 2-methoxy-4-nitrobenzoic acid SMILES: COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

PubChem CID 75776
CAS 2597-56-0
Molecular Weight (g/mol) 197.15
MDL Number MFCD00216573
SMILES COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb
IUPAC Name 2-methoxy-4-nitrobenzoic acid
InChI Key KPJXEWJRJKEOCD-UHFFFAOYSA-N
Molecular Formula C8H7NO5
4

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,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa PubChem CID: 642096 SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

PubChem CID 642096
CAS 320-94-5
Molecular Weight (g/mol) 235.118
MDL Number MFCD00007142
SMILES C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym 2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa
InChI Key MYSAXQPTXWKDPQ-UHFFFAOYSA-N
Molecular Formula C8H4F3NO4
5

4-Bromo-2-nitrobenzoic acid, 97%

CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

PubChem CID 3774467
CAS 99277-71-1
Molecular Weight (g/mol) 245.01
MDL Number MFCD01013599
SMILES [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonym 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
IUPAC Name 4-bromo-2-nitrobenzoate
InChI Key ZIRHHEZLJGORGU-UHFFFAOYSA-M
Molecular Formula C7H3BrNO4
6

4,5-Dimethoxy-2-nitrobenzoic acid, 98%

CAS: 4998-07-6 MDL Number: MFCD00014697

CAS 4998-07-6
MDL Number MFCD00014697
7

Methyl 2-hydroxy-3-nitrobenzoate, 98%

CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O

PubChem CID 596904
CAS 22621-41-6
Molecular Weight (g/mol) 197.146
MDL Number MFCD00272263
SMILES COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
Synonym methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l
InChI Key NIBVYEHAFBEVFI-UHFFFAOYSA-N
Molecular Formula C8H7NO5
8

3-Nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

PubChem CID 616602
CAS 328-80-3
Molecular Weight (g/mol) 235.118
MDL Number MFCD00024509
SMILES C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012
InChI Key ODCLHXGXGFBBTA-UHFFFAOYSA-N
Molecular Formula C8H4F3NO4
9

4-Nitrobenzoic acid, 99%

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-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
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
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
10

Methyl 4-hydroxy-3-nitrobenzoate, 98+%

CAS: 99-42-3 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00014695 InChI Key: GNCWCTBHZCBXGL-UHFFFAOYSA-N Synonym: methyl 3-nitro-4-hydroxybenzoate,benzoic acid, 4-hydroxy-3-nitro-, methyl ester,4-hydroxy-3-nitrobenzoic acid methyl ester,methyl 3-nitro-4-hydroxy toluate,aurora 6897,3-nitro-4-hydroxybenzoic acid methyl ester,methyl-4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxymethylbenzoate,acmc-209scn,3-10-00-00378 beilstein handbook reference PubChem CID: 66835 IUPAC Name: methyl 4-hydroxy-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]

PubChem CID 66835
CAS 99-42-3
Molecular Weight (g/mol) 197.146
MDL Number MFCD00014695
SMILES COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
Synonym methyl 3-nitro-4-hydroxybenzoate,benzoic acid, 4-hydroxy-3-nitro-, methyl ester,4-hydroxy-3-nitrobenzoic acid methyl ester,methyl 3-nitro-4-hydroxy toluate,aurora 6897,3-nitro-4-hydroxybenzoic acid methyl ester,methyl-4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxymethylbenzoate,acmc-209scn,3-10-00-00378 beilstein handbook reference
IUPAC Name methyl 4-hydroxy-3-nitrobenzoate
InChI Key GNCWCTBHZCBXGL-UHFFFAOYSA-N
Molecular Formula C8H7NO5
11

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.13
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
12

Methyl 2-nitrobenzoate, 98+%

CAS: 606-27-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007136 InChI Key: AOXPHVNMBPFOFS-UHFFFAOYSA-N Synonym: methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester PubChem CID: 69072 IUPAC Name: methyl 2-nitrobenzoate SMILES: COC(=O)C1=CC=CC=C1[N+](=O)[O-]

PubChem CID 69072
CAS 606-27-9
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007136
SMILES COC(=O)C1=CC=CC=C1[N+](=O)[O-]
Synonym methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester
IUPAC Name methyl 2-nitrobenzoate
InChI Key AOXPHVNMBPFOFS-UHFFFAOYSA-N
Molecular Formula C8H7NO4
13

3,5-Dinitrobenzoic acid, 98+%

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 7433
CAS 99-34-3
Molecular Weight (g/mol) 212.12
ChEBI CHEBI:73914
MDL Number MFCD00007253
SMILES OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
IUPAC Name 3,5-dinitrobenzoic acid
InChI Key VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
14

2-Chloro-5-nitrobenzoic Acid, 99+%

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-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

PubChem CID 17287
CAS 2516-96-3
Molecular Weight (g/mol) 201.56
MDL Number MFCD00007294
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
15

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 7457
CAS 99-77-4
Molecular Weight (g/mol) 195.17
MDL Number MFCD00007351
SMILES CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
IUPAC Name ethyl 4-nitrobenzoate
InChI Key PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molecular Formula C9H9NO4