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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166 – 180 of 1,060 results

166

4-Iodo-3-nitrobenzoic Acid 97.0+%, TCI America™

CAS: 35674-27-2 Molecular Formula: C7H4INO4 Molecular Weight (g/mol): 293.02 MDL Number: MFCD00502399 InChI Key: DNMTZLCNLAIKQC-UHFFFAOYSA-N Synonym: 4-iodo-3-nitrobenzoic acid,4-iodo-3-nitrobenzoicacid,3-nitro-4-iodobenzoic acid,4-iodo-3-nitro-benzoic acid,benzoic acid, 4-iodo-3-nitro,pubchem13471,acmc-209z8y,4-iodo-3-nitro benzoic acid PubChem CID: 11208598 IUPAC Name: 4-iodo-3-nitrobenzoic acid SMILES: OC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O

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Specifications

PubChem CID	11208598
CAS	35674-27-2
Molecular Weight (g/mol)	293.02
MDL Number	MFCD00502399
SMILES	OC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O
Synonym	4-iodo-3-nitrobenzoic acid,4-iodo-3-nitrobenzoicacid,3-nitro-4-iodobenzoic acid,4-iodo-3-nitro-benzoic acid,benzoic acid, 4-iodo-3-nitro,pubchem13471,acmc-209z8y,4-iodo-3-nitro benzoic acid
IUPAC Name	4-iodo-3-nitrobenzoic acid
InChI Key	DNMTZLCNLAIKQC-UHFFFAOYSA-N
Molecular Formula	C7H4INO4

167

4-Nitrophthalic Acid 98.0+%, TCI America™

CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O

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Specifications

PubChem CID	69121
CAS	610-27-5
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007252
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
Synonym	4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8
InChI Key	SLBQXWXKPNIVSQ-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

168

4-Nitrobenzoic Acid Potassium Salt 99.0+%, TCI America™

CAS: 15922-01-7 Molecular Formula: C7H4KNO4 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00070536 InChI Key: MKBKSBKMELRIKB-UHFFFAOYSA-M Synonym: Potassium 4-Nitrobenzoate PubChem CID: 10125148 IUPAC Name: potassium;4-nitrobenzoate SMILES: C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[K+]

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Specifications

PubChem CID	10125148
CAS	15922-01-7
Molecular Weight (g/mol)	205.21
MDL Number	MFCD00070536
SMILES	C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[K+]
Synonym	Potassium 4-Nitrobenzoate
IUPAC Name	potassium;4-nitrobenzoate
InChI Key	MKBKSBKMELRIKB-UHFFFAOYSA-M
Molecular Formula	C7H4KNO4

169

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

CAS: 101420-81-9 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD04117949 InChI Key: KKPPNEJUUOQRLE-UHFFFAOYSA-N PubChem CID: 16218087 IUPAC Name: 3-bromo-4-nitrobenzoic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	16218087
CAS	101420-81-9
Molecular Weight (g/mol)	246.02
MDL Number	MFCD04117949
SMILES	OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O
IUPAC Name	3-bromo-4-nitrobenzoic acid
InChI Key	KKPPNEJUUOQRLE-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

170

3-Nitrobenzoic Acid 99.0+%, TCI America™

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	8497
CAS	121-92-6
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007251
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym	3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key	AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

171

Nitroterephthalic Acid 98.0+%, TCI America™

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 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

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Specifications

PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.129
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

172

Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate 98.0+%, TCI America™

CAS: 57113-90-3 Molecular Formula: C13H16N2O6 Molecular Weight (g/mol): 296.279 MDL Number: MFCD06797690 InChI Key: VEDIIGMQOAWKGH-UHFFFAOYSA-N Synonym: 2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester PubChem CID: 9965968 IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	9965968
CAS	57113-90-3
Molecular Weight (g/mol)	296.279
MDL Number	MFCD06797690
SMILES	CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC
Synonym	2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
InChI Key	VEDIIGMQOAWKGH-UHFFFAOYSA-N
Molecular Formula	C13H16N2O6

173

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-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 IUPAC Name: 2-fluoro-5-nitrobenzoic acid SMILES: OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O

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Specifications

PubChem CID	280997
CAS	7304-32-7
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00134238
SMILES	OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O
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
IUPAC Name	2-fluoro-5-nitrobenzoic acid
InChI Key	ICXSHFWYCHJILC-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

174

3-Hydroxy-4-nitrobenzoic Acid 96.0+%, TCI America™

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-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

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Specifications

PubChem CID	69265
CAS	619-14-7
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007110
SMILES	OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym	3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
IUPAC Name	3-hydroxy-4-nitrobenzoic acid
InChI Key	XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

175

2-Chloro-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

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Specifications

PubChem CID	19870
CAS	3970-35-2
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00007069
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key	JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

176

Methyl 2-Bromo-4-nitrobenzoate 98.0+%, TCI America™

CAS: 100959-22-6 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD07779271 InChI Key: XYMZAFDNPJLOTP-UHFFFAOYSA-N Synonym: 2-Bromo-4-nitrobenzoic Acid Methyl Ester PubChem CID: 15833211 IUPAC Name: methyl 2-bromo-4-nitrobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	15833211
CAS	100959-22-6
Molecular Weight (g/mol)	260.043
MDL Number	MFCD07779271
SMILES	COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br
Synonym	2-Bromo-4-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 2-bromo-4-nitrobenzoate
InChI Key	XYMZAFDNPJLOTP-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

177

Methyl 2-Methyl-3-nitrobenzoate 98.0+%, TCI America™

CAS: 59382-59-1 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00082564 InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N Synonym: benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate PubChem CID: 601165 IUPAC Name: methyl 2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	601165
CAS	59382-59-1
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00082564
SMILES	COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O
Synonym	benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate
IUPAC Name	methyl 2-methyl-3-nitrobenzoate
InChI Key	CRZGFIMLHZTLGT-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

178

4-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure PubChem CID: 69266 IUPAC Name: 2-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O

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Specifications

PubChem CID	69266
CAS	619-19-2
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00071505
SMILES	OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O
Synonym	4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure
IUPAC Name	2-hydroxy-4-nitrobenzoic acid
InChI Key	UKWUOTZGXIZAJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

179

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

180

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

CAS: 713-52-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00016997 InChI Key: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonym: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate PubChem CID: 294866 IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

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Specifications

PubChem CID	294866
CAS	713-52-0
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00016997
SMILES	COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Synonym	benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate
IUPAC Name	methyl 3-hydroxy-4-nitrobenzoate
InChI Key	UEGCRFNWTGYVKX-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

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