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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196 – 210 of 1,056 results

196

4-Nitro-2-(trifluoromethyl)benzoic Acid 97.0+%, TCI America™

CAS: 320-37-6 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.12 MDL Number: MFCD04039246 InChI Key: BPCKZQCTLCTDST-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid PubChem CID: 2782737 IUPAC Name: 4-nitro-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F

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Specifications

PubChem CID	2782737
CAS	320-37-6
Molecular Weight (g/mol)	235.12
MDL Number	MFCD04039246
SMILES	OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
Synonym	4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid
IUPAC Name	4-nitro-2-(trifluoromethyl)benzoic acid
InChI Key	BPCKZQCTLCTDST-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

197

Sodium 3-Nitrosalicylate 99.0+%, TCI America™

CAS: 164915-53-1 Molecular Formula: C7H4NNaO5 Molecular Weight (g/mol): 205.10 MDL Number: MFCD00070529 InChI Key: DLXOJVOMIITILS-UHFFFAOYSA-M Synonym: 3-Nitrosalicylic Acid Sodium Salt PubChem CID: 54726778 IUPAC Name: sodium 2-carboxy-6-nitrobenzen-1-olate SMILES: [Na+].OC(=O)C1=C([O-])C(=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	54726778
CAS	164915-53-1
Molecular Weight (g/mol)	205.10
MDL Number	MFCD00070529
SMILES	[Na+].OC(=O)C1=C([O-])C(=CC=C1)[N+]([O-])=O
Synonym	3-Nitrosalicylic Acid Sodium Salt
IUPAC Name	sodium 2-carboxy-6-nitrobenzen-1-olate
InChI Key	DLXOJVOMIITILS-UHFFFAOYSA-M
Molecular Formula	C7H4NNaO5

198

5-Nitroisophthalic Acid 99.0+%, TCI America™

CAS: 618-88-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007254 InChI Key: NBDAHKQJXVLAID-UHFFFAOYSA-N Synonym: 5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u PubChem CID: 12069 SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	12069
CAS	618-88-2
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007254
SMILES	C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u
InChI Key	NBDAHKQJXVLAID-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

199

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

CAS: 610-36-6 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 InChI Key: SAJYSJVBNGUWJK-UHFFFAOYSA-N PubChem CID: 235713 SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	235713
CAS	610-36-6
Molecular Weight (g/mol)	182.135
SMILES	C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O
InChI Key	SAJYSJVBNGUWJK-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

200

2-Methyl-6-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 13506-76-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007267 InChI Key: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	16097
CAS	13506-76-8
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007267
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid
InChI Key	CCXSGQZMYLXTOI-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

201

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

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	67987
CAS	453-71-4
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00007058
SMILES	OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym	4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
IUPAC Name	4-fluoro-3-nitrobenzoic acid
InChI Key	BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

202

3-Bromo-5-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 6307-83-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00100098 InChI Key: AXRKIZCFYZBBPX-UHFFFAOYSA-N Synonym: 3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid PubChem CID: 239336 SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O

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Specifications

PubChem CID	239336
CAS	6307-83-1
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00100098
SMILES	C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O
Synonym	3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid
InChI Key	AXRKIZCFYZBBPX-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

203

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

CAS: 96-99-1 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007079 InChI Key: DFXQXFGFOLXAPO-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzoic acid,3-nitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-nitro,kyselina 4-chloro-3-nitrobenzoova,unii-0mlz915q9k,ccris 3126,kyselina 4-chloro-3-nitrobenzoova czech,4-chloro-3-nitrobenzoic acic,4-chloro-3-nitro-benzoic acid,5-carboxy-2-chloronitrobenzene PubChem CID: 7320 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

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PubChem CID	7320
CAS	96-99-1
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00007079
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl
Synonym	4-chloro-3-nitrobenzoic acid,3-nitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-nitro,kyselina 4-chloro-3-nitrobenzoova,unii-0mlz915q9k,ccris 3126,kyselina 4-chloro-3-nitrobenzoova czech,4-chloro-3-nitrobenzoic acic,4-chloro-3-nitro-benzoic acid,5-carboxy-2-chloronitrobenzene
InChI Key	DFXQXFGFOLXAPO-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

204

2-Chloro-5-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 2516-96-3 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 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

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Specifications

PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.562
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

205

Dimethyl 3-Nitrophthalate 99.0+%, TCI America™

CAS: 13365-26-9 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00017184 InChI Key: MLQMIKSBTAZNBK-UHFFFAOYSA-N PubChem CID: 249912 IUPAC Name: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	249912
CAS	13365-26-9
Molecular Weight (g/mol)	239.183
MDL Number	MFCD00017184
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
IUPAC Name	dimethyl 3-nitrobenzene-1,2-dicarboxylate
InChI Key	MLQMIKSBTAZNBK-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

206

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

CAS: 6319-40-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00272137 InChI Key: RVCTZJVBWNFYRU-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # PubChem CID: 232986 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

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Specifications

PubChem CID	232986
CAS	6319-40-0
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00272137
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br
Synonym	4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid #
InChI Key	RVCTZJVBWNFYRU-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

207

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

CAS: 320-98-9 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00055635 InChI Key: GHYZIXDKAPMFCS-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid PubChem CID: 2737420 SMILES: C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]

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PubChem CID	2737420
CAS	320-98-9
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00055635
SMILES	C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]
Synonym	5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid
InChI Key	GHYZIXDKAPMFCS-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

208

4-Ethoxycarbonyl-2-nitrophenylboronic Acid (contains varying amounts of Anhydride) 98.0+%, TCI America™

CAS: 5785-70-6 Molecular Formula: C9H10BNO6 Molecular Weight (g/mol): 238.99 MDL Number: MFCD02179460 InChI Key: GCDAYMSNTGTFDC-UHFFFAOYSA-N Synonym: 4-ethoxycarbonyl-2-nitrophenyl boronic acid,ethyl 4-borono-3-nitrabenzoate,ethyl 4-borono-3-nitrobenzoate,4-ethoxycarbonyl-2-nitrophenylboronic acid,4-ethoxycarbonyl-2-nitrobenzeneboronic acid,4-ethoxycarbonyl-2-nitrophenylboronicacid,acmc-1alqp,chembl91674,benzoic acid,4-borono-3-nitro-, 1-ethyl ester PubChem CID: 2773403 IUPAC Name: (4-ethoxycarbonyl-2-nitrophenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-])(O)O

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Specifications

PubChem CID	2773403
CAS	5785-70-6
Molecular Weight (g/mol)	238.99
MDL Number	MFCD02179460
SMILES	B(C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-])(O)O
Synonym	4-ethoxycarbonyl-2-nitrophenyl boronic acid,ethyl 4-borono-3-nitrabenzoate,ethyl 4-borono-3-nitrobenzoate,4-ethoxycarbonyl-2-nitrophenylboronic acid,4-ethoxycarbonyl-2-nitrobenzeneboronic acid,4-ethoxycarbonyl-2-nitrophenylboronicacid,acmc-1alqp,chembl91674,benzoic acid,4-borono-3-nitro-, 1-ethyl ester
IUPAC Name	(4-ethoxycarbonyl-2-nitrophenyl)boronic acid
InChI Key	GCDAYMSNTGTFDC-UHFFFAOYSA-N
Molecular Formula	C9H10BNO6

209

4-Chloro-3,5-dinitrobenzoic Acid 98.0+%, TCI America™

CAS: 118-97-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00007080 InChI Key: PCTFIHOVQYYAMH-UHFFFAOYSA-N Synonym: 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 PubChem CID: 8377 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	8377
CAS	118-97-8
Molecular Weight (g/mol)	246.559
MDL Number	MFCD00007080
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O
Synonym	4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176
InChI Key	PCTFIHOVQYYAMH-UHFFFAOYSA-N
Molecular Formula	C7H3ClN2O6

210

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

CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	18370
CAS	3113-71-1
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007168
SMILES	CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key	XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

Nitrobenzoic acids and derivatives

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