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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136 – 150 of 1,060 results

136

3,5-Dinitrobenzoic Acid 98.0+%, TCI America™

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

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Specifications

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

137

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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Specifications

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

138

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

139

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

140

Methyl 5-Chloro-2-nitrobenzoate 98.0+%, TCI America™

CAS: 51282-49-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00272139 InChI Key: JGBJHRKCUKTQOE-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid methyl ester,benzoic acid, 5-chloro-2-nitro-, methyl ester,unii-1t5d4k1v51,methyl 5-chloro-2-nitro-benzoate,pubchem3712,acmc-209ksr,dsstox_cid_24948,dsstox_rid_80608,dsstox_gsid_44948,ksc495i7r PubChem CID: 171018 IUPAC Name: methyl 5-chloro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	171018
CAS	51282-49-6
Molecular Weight (g/mol)	215.589
MDL Number	MFCD00272139
SMILES	COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]
Synonym	5-chloro-2-nitrobenzoic acid methyl ester,benzoic acid, 5-chloro-2-nitro-, methyl ester,unii-1t5d4k1v51,methyl 5-chloro-2-nitro-benzoate,pubchem3712,acmc-209ksr,dsstox_cid_24948,dsstox_rid_80608,dsstox_gsid_44948,ksc495i7r
IUPAC Name	methyl 5-chloro-2-nitrobenzoate
InChI Key	JGBJHRKCUKTQOE-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

141

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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Specifications

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

142

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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Specifications

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

143

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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Specifications

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

144

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

145

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

146

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

CAS: 7356-11-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00130054 InChI Key: YFPBHPCMYFCRKS-UHFFFAOYSA-N Synonym: methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene PubChem CID: 81816 IUPAC Name: methyl 4-methyl-3-nitrobenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

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Specifications

PubChem CID	81816
CAS	7356-11-8
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00130054
SMILES	CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
Synonym	methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene
IUPAC Name	methyl 4-methyl-3-nitrobenzoate
InChI Key	YFPBHPCMYFCRKS-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

147

Methyl 2,6-Difluoro-3-nitrobenzoate 98.0+%, TCI America™

CAS: 84832-01-9 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.128 MDL Number: MFCD07368850 InChI Key: CIHHBTMZOLRCRL-UHFFFAOYSA-N PubChem CID: 43449035 IUPAC Name: methyl 2,6-difluoro-3-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

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Specifications

PubChem CID	43449035
CAS	84832-01-9
Molecular Weight (g/mol)	217.128
MDL Number	MFCD07368850
SMILES	COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F
IUPAC Name	methyl 2,6-difluoro-3-nitrobenzoate
InChI Key	CIHHBTMZOLRCRL-UHFFFAOYSA-N
Molecular Formula	C8H5F2NO4

148

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

CAS: 5471-82-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01003947 InChI Key: NJHDBIXFFZVJGZ-UHFFFAOYSA-N Synonym: methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate PubChem CID: 79621 IUPAC Name: methyl 3-methyl-2-nitrobenzoate SMILES: CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	79621
CAS	5471-82-9
Molecular Weight (g/mol)	195.174
MDL Number	MFCD01003947
SMILES	CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
Synonym	methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate
IUPAC Name	methyl 3-methyl-2-nitrobenzoate
InChI Key	NJHDBIXFFZVJGZ-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

149

3-Methoxy-2-nitrobenzoic Acid 99.0+%, TCI America™

CAS: 4920-80-3 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007143 InChI Key: YMOMYSDAOXOCID-UHFFFAOYSA-N Synonym: 3-methoxy-2-nitrobenzoic acid,2-nitro-3-methoxybenzoic acid,benzoic acid, 3-methoxy-2-nitro,2-nitro-m-anisic acid,m-anisic acid, 2-nitro,3-methoxy-2-nitrobenzoicacid,pubchem12905,acmc-1ao65,ksc238g2p PubChem CID: 78632 SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	78632
CAS	4920-80-3
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00007143
SMILES	COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O
Synonym	3-methoxy-2-nitrobenzoic acid,2-nitro-3-methoxybenzoic acid,benzoic acid, 3-methoxy-2-nitro,2-nitro-m-anisic acid,m-anisic acid, 2-nitro,3-methoxy-2-nitrobenzoicacid,pubchem12905,acmc-1ao65,ksc238g2p
InChI Key	YMOMYSDAOXOCID-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

150

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

Pricing & Availability
Specifications

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

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