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 1,059 results

136

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

CAS: 2363-16-8 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.04 MDL Number: MFCD00553089 InChI Key: BNNDHGPPQZVKMX-UHFFFAOYSA-N Synonym: 4-Bromo-3-nitrobenzoic Acid Methyl Ester PubChem CID: 2736829 IUPAC Name: methyl 4-bromo-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	2736829
CAS	2363-16-8
Molecular Weight (g/mol)	260.04
MDL Number	MFCD00553089
SMILES	COC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O
Synonym	4-Bromo-3-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 4-bromo-3-nitrobenzoate
InChI Key	BNNDHGPPQZVKMX-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

137

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

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

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Specifications

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

138

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

CAS: 5081-36-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007353 InChI Key: PWURRRRGLCVBMX-UHFFFAOYSA-N Synonym: 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid PubChem CID: 78764 SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	78764
CAS	5081-36-7
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00007353
SMILES	COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym	3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid
InChI Key	PWURRRRGLCVBMX-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

139

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

140

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

141

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

142

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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Specifications

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

143

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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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

144

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

145

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

146

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

147

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

148

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

149

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

150

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

CAS: 394-01-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00024300 InChI Key: YLUCXHMYRQUERW-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene PubChem CID: 2737416 SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	2737416
CAS	394-01-4
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00024300
SMILES	C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O
Synonym	4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene
InChI Key	YLUCXHMYRQUERW-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

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