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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151 – 165 of 1,063 results

151

2-Chloro-4-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 99-60-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

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PubChem CID	7448
CAS	99-60-5
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00007209
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key	QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

152

O-(4-Nitrobenzoyl)hydroxylamine 97.0+%, TCI America™

CAS: 35657-36-4 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD11976095 InChI Key: VTKRSTQMGNRMHL-UHFFFAOYSA-N PubChem CID: 426419 IUPAC Name: amino 4-nitrobenzoate SMILES: NOC(=O)C1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	426419
CAS	35657-36-4
Molecular Weight (g/mol)	182.14
MDL Number	MFCD11976095
SMILES	NOC(=O)C1=CC=C(C=C1)[N+]([O-])=O
IUPAC Name	amino 4-nitrobenzoate
InChI Key	VTKRSTQMGNRMHL-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

153

5-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

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PubChem CID	7318
CAS	96-97-9
Molecular Weight (g/mol)	183.119
ChEBI	CHEBI:61281
MDL Number	MFCD00007338
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym	5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key	PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

154

4-Methyl-3-nitrobenzoic Acid 99.0+%, TCI America™

CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzoic acid,3-nitro-4-methylbenzoic acid,3-nitro-p-toluic acid,benzoic acid, 4-methyl-3-nitro,3-nitro-para-toluic acid,m-nitro-p-toluic acid,4-methyl-3-nitro-benzoic acid,p-toluic acid, 3-nitro,3-nitro-4-methyl benzoic acid,benzoic acid,4-methyl-3-nitro PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

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PubChem CID	7319
CAS	96-98-0
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007174
SMILES	CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym	4-methyl-3-nitrobenzoic acid,3-nitro-4-methylbenzoic acid,3-nitro-p-toluic acid,benzoic acid, 4-methyl-3-nitro,3-nitro-para-toluic acid,m-nitro-p-toluic acid,4-methyl-3-nitro-benzoic acid,p-toluic acid, 3-nitro,3-nitro-4-methyl benzoic acid,benzoic acid,4-methyl-3-nitro
InChI Key	BBEWSMNRCUXQRF-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

155

Methyl 4-Chloro-2-nitrobenzoate 97.0+%, TCI America™

CAS: 42087-80-9 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00007213 InChI Key: JWOSXVMUUBWGOL-UHFFFAOYSA-N Synonym: 4-Chloro-2-nitrobenzoic Acid Methyl Ester PubChem CID: 39135 IUPAC Name: methyl 4-chloro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

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PubChem CID	39135
CAS	42087-80-9
Molecular Weight (g/mol)	215.589
MDL Number	MFCD00007213
SMILES	COC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]
Synonym	4-Chloro-2-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 4-chloro-2-nitrobenzoate
InChI Key	JWOSXVMUUBWGOL-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

156

Methyl 4-Nitrobenzoate 98.0+%, TCI America™

CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	12083
CAS	619-50-1
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007350
SMILES	COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym	methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester
IUPAC Name	methyl 4-nitrobenzoate
InChI Key	YOJAHJGBFDPSDI-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

157

Ethyl 4-Nitrobenzoate 98.0+%, TCI America™

CAS: 99-77-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 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-]

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PubChem CID	7457
CAS	99-77-4
Molecular Weight (g/mol)	195.174
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

158

4-Methoxy-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 33844-21-2 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD04972109 InChI Key: DVZBWONCSHFMMM-UHFFFAOYSA-N Synonym: 2-Nitro-p-anisic Acid PubChem CID: 288657 SMILES: COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	288657
CAS	33844-21-2
Molecular Weight (g/mol)	197.146
MDL Number	MFCD04972109
SMILES	COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym	2-Nitro-p-anisic Acid
InChI Key	DVZBWONCSHFMMM-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

159

4-Chloro-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 6280-88-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007214 InChI Key: JAHIPDTWWVYVRV-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion PubChem CID: 80475 IUPAC Name: 4-chloro-2-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O

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PubChem CID	80475
CAS	6280-88-2
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007214
SMILES	OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym	4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion
IUPAC Name	4-chloro-2-nitrobenzoic acid
InChI Key	JAHIPDTWWVYVRV-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

160

4-Methoxy-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 89-41-8 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007256 InChI Key: ANXBDAFDZSXOPQ-UHFFFAOYSA-N Synonym: 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid PubChem CID: 66640 SMILES: COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

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PubChem CID	66640
CAS	89-41-8
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00007256
SMILES	COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym	4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid
InChI Key	ANXBDAFDZSXOPQ-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

161

Methyl 3-Methyl-4-nitrobenzoate 98.0+%, TCI America™

CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

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Specifications

PubChem CID	260927
CAS	24078-21-5
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00085640
SMILES	CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
Synonym	benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d
IUPAC Name	methyl 3-methyl-4-nitrobenzoate
InChI Key	IEFONJKJLZFGKQ-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

162

3-Nitrophthalic Acid 98.0+%, TCI America™

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 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

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Specifications

PubChem CID	69043
CAS	603-11-2
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007138
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
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
InChI Key	KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

163

4-Amino-3-nitrobenzoic Acid 95.0+%, TCI America™

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

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Specifications

PubChem CID	74115
CAS	1588-83-6
Molecular Weight (g/mol)	182.135
MDL Number	MFCD00017009
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])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
InChI Key	ZZNAYFWAXZJITH-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

164

Methyl 4-Fluoro-3-nitrobenzoate 98.0+%, TCI America™

CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O

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Specifications

PubChem CID	5219721
CAS	329-59-9
Molecular Weight (g/mol)	199.14
MDL Number	MFCD00196161
SMILES	COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O
Synonym	methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate
IUPAC Name	methyl 4-fluoro-3-nitrobenzoate
InChI Key	CNJJSTPBUHAEFH-UHFFFAOYSA-N
Molecular Formula	C8H6FNO4

165

3,4-Dinitrobenzoic Acid 98.0+%, TCI America™

CAS: 528-45-0 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007255 InChI Key: OMVRRHJJQILIJX-UHFFFAOYSA-N Synonym: 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956 PubChem CID: 10709 IUPAC Name: 3,4-dinitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	10709
CAS	528-45-0
Molecular Weight (g/mol)	212.12
MDL Number	MFCD00007255
SMILES	OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym	3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956
IUPAC Name	3,4-dinitrobenzoic acid
InChI Key	OMVRRHJJQILIJX-UHFFFAOYSA-N
Molecular Formula	C7H4N2O6

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