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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211 – 225 of 660 results

211

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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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

212

Methyl 3-Nitrobenzoate 98.0+%, TCI America™

CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

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PubChem CID	69260
CAS	618-95-1
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007250
SMILES	COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym	3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
IUPAC Name	methyl 3-nitrobenzoate
InChI Key	AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

213

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

CAS: 40757-20-8 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00024213 InChI Key: ZUZYMTBOKNSYEB-UHFFFAOYSA-N Synonym: benzoic acid, 4-methoxy-3-nitro-, methyl ester,3-nitro-4-methoxybenzoic acid methyl ester,methyl 3-nitro-p-anisate,acmc-1ap03,methyl 3-nitro-4-methoxybenzoate,methyl-4-methoxy-3-nitrobenzoate,3-nitro-p-anisic acid methyl ester,4-methoxy-3-nitrobenzoic acid methyl ester,4-methoxy-3-nitro-benzoic acid methyl ester,benzoic acid, 4-methoxy-5-nitro-, methyl ester PubChem CID: 602104 IUPAC Name: methyl 4-methoxy-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(OC)C(=C1)[N+]([O-])=O

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PubChem CID	602104
CAS	40757-20-8
Molecular Weight (g/mol)	211.17
MDL Number	MFCD00024213
SMILES	COC(=O)C1=CC=C(OC)C(=C1)[N+]([O-])=O
Synonym	benzoic acid, 4-methoxy-3-nitro-, methyl ester,3-nitro-4-methoxybenzoic acid methyl ester,methyl 3-nitro-p-anisate,acmc-1ap03,methyl 3-nitro-4-methoxybenzoate,methyl-4-methoxy-3-nitrobenzoate,3-nitro-p-anisic acid methyl ester,4-methoxy-3-nitrobenzoic acid methyl ester,4-methoxy-3-nitro-benzoic acid methyl ester,benzoic acid, 4-methoxy-5-nitro-, methyl ester
IUPAC Name	methyl 4-methoxy-3-nitrobenzoate
InChI Key	ZUZYMTBOKNSYEB-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

214

2-Nitrobenzoic Acid 90.0+%, TCI America™

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

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PubChem CID	11087
CAS	552-16-9
Molecular Weight (g/mol)	167.12
ChEBI	CHEBI:25620
MDL Number	MFCD00007137
SMILES	C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym	2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key	SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

215

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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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

216

3-Carboxy-5-nitrophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

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Specifications

PubChem CID	2773315
CAS	101084-81-5
Molecular Weight (g/mol)	210.936
MDL Number	MFCD00757433
Color	White-Yellow
Physical Form	Crystalline Powder
SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
TSCA	No
IUPAC Name	3-borono-5-nitrobenzoic acid
InChI Key	WNIFCLWDGNHGMX-UHFFFAOYSA-N
Molecular Formula	C7H6BNO6
Formula Weight	210.94
Melting Point	229°C

217

Methyl 2-Nitrobenzoate 98.0+%, TCI America™

CAS: 606-27-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007136 InChI Key: AOXPHVNMBPFOFS-UHFFFAOYSA-N Synonym: methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester PubChem CID: 69072 IUPAC Name: methyl 2-nitrobenzoate SMILES: COC(=O)C1=CC=CC=C1[N+](=O)[O-]

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PubChem CID	69072
CAS	606-27-9
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007136
SMILES	COC(=O)C1=CC=CC=C1[N+](=O)[O-]
Synonym	methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester
IUPAC Name	methyl 2-nitrobenzoate
InChI Key	AOXPHVNMBPFOFS-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

218

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

CAS: 62621-09-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD03618407 InChI Key: JJHCLPDHYBSSHC-UHFFFAOYSA-N Synonym: 2-Methyl-4-nitrobenzoic Acid Methyl Ester, Methyl 4-Nitro-o-toluate, 4-Nitro-o-toluic Acid Methyl Ester PubChem CID: 15088700 IUPAC Name: methyl 2-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	15088700
CAS	62621-09-4
Molecular Weight (g/mol)	195.174
MDL Number	MFCD03618407
SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
Synonym	2-Methyl-4-nitrobenzoic Acid Methyl Ester, Methyl 4-Nitro-o-toluate, 4-Nitro-o-toluic Acid Methyl Ester
IUPAC Name	methyl 2-methyl-4-nitrobenzoate
InChI Key	JJHCLPDHYBSSHC-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

219

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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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

220

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

CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

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PubChem CID	302679
CAS	403-24-7
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00275565
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
Synonym	2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure
InChI Key	MMWFMFZFCKADEL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

221

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

CAS: 20587-30-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00157275 InChI Key: KFOICDVZQKFCGM-UHFFFAOYSA-N Synonym: 5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester PubChem CID: 3314122 IUPAC Name: methyl 5-methyl-2-nitrobenzoate SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	3314122
CAS	20587-30-8
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00157275
SMILES	CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym	5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester
IUPAC Name	methyl 5-methyl-2-nitrobenzoate
InChI Key	KFOICDVZQKFCGM-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

222

3-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 85-38-1 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00024240 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

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Specifications

PubChem CID	6807
CAS	85-38-1
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00024240
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym	3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key	WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

223

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

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	519683
CAS	1975-52-6
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007371
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
InChI Key	DJRFJAVPROZZFL-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

224

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

CAS: 77324-87-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 InChI Key: TVGKPVDDCDQBRC-UHFFFAOYSA-N Synonym: methyl 5-nitro-2-methylbenzoate,2-methyl-5-nitro-benzoic acid methyl ester,2-methyl-5-nitrobenzoic acid methyl ester,methyl2-methyl-5-nitrobenzoate,methyl 3-nitro-6-methylbenzoate,benzoic acid, 2-methyl-5-nitro-, methyl ester,methyl 2-methyl-5-nitro-benzoate,acmc-1bix6,methyl 5-nitro-o-toluate,ksc495s6b PubChem CID: 4377758 IUPAC Name: methyl 2-methyl-5-nitrobenzoate SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	4377758
CAS	77324-87-9
Molecular Weight (g/mol)	195.174
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym	methyl 5-nitro-2-methylbenzoate,2-methyl-5-nitro-benzoic acid methyl ester,2-methyl-5-nitrobenzoic acid methyl ester,methyl2-methyl-5-nitrobenzoate,methyl 3-nitro-6-methylbenzoate,benzoic acid, 2-methyl-5-nitro-, methyl ester,methyl 2-methyl-5-nitro-benzoate,acmc-1bix6,methyl 5-nitro-o-toluate,ksc495s6b
IUPAC Name	methyl 2-methyl-5-nitrobenzoate
InChI Key	TVGKPVDDCDQBRC-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

225

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

CAS: 1975-50-4 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007160 InChI Key: YPQAFWHSMWWPLX-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzoic acid,3-nitro-o-toluic acid,benzoic acid, 2-methyl-3-nitro,2-methyl-3-nitrobenzoicacid,unii-0si17d349b,3-nitro-2-methyl benzoic acid,3-nitro-2-methylbenzoic acid,2-methyl-3-nitro-benzoic acid,benzoic acid,2-methyl-3-nitro,pubchem4522 PubChem CID: 16096 SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	16096
CAS	1975-50-4
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007160
SMILES	CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O
Synonym	2-methyl-3-nitrobenzoic acid,3-nitro-o-toluic acid,benzoic acid, 2-methyl-3-nitro,2-methyl-3-nitrobenzoicacid,unii-0si17d349b,3-nitro-2-methyl benzoic acid,3-nitro-2-methylbenzoic acid,2-methyl-3-nitro-benzoic acid,benzoic acid,2-methyl-3-nitro,pubchem4522
InChI Key	YPQAFWHSMWWPLX-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

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