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 1,060 results

196

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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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

197

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

CAS: 16426-64-5 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 InChI Key: CEXGTXNIIFSPSF-UHFFFAOYSA-N PubChem CID: 313534 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)C(=O)O

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Specifications

PubChem CID	313534
CAS	16426-64-5
Molecular Weight (g/mol)	246.016
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Br)C(=O)O
InChI Key	CEXGTXNIIFSPSF-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

198

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

199

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

200

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

201

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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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

202

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

203

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

204

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

205

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

206

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

207

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

CAS: 14719-83-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00016989 InChI Key: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonym: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate PubChem CID: 735797 IUPAC Name: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	735797
CAS	14719-83-6
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00016989
SMILES	COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Synonym	methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate
IUPAC Name	methyl 4-chloro-3-nitrobenzoate
InChI Key	XRTKWPWDSUNLHS-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

208

2-(Methoxycarbonyl)-6-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 21606-04-2 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD00034781 InChI Key: DJMQLZPEBHSABD-UHFFFAOYSA-N PubChem CID: 4399477 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	4399477
CAS	21606-04-2
Molecular Weight (g/mol)	225.156
MDL Number	MFCD00034781
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
InChI Key	DJMQLZPEBHSABD-UHFFFAOYSA-N
Molecular Formula	C9H7NO6

209

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

CAS: 16533-71-4 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.14 MDL Number: MFCD00007175 InChI Key: LZWWZQXBKVZKIP-UHFFFAOYSA-N Synonym: 4-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-4-methylbenzoic acid,3,5-dinitro-p-toluic acid,3,5-dinitro-4-methyl benzoic acid,benzoic acid, 4-methyl-3,5-dinitro,p-toluic acid, 3,5-dinitro,acmc-209dsg,p-toluic acid,5-dinitro,ksc496a8j,3,5-dinitro-4-methylbenzoicacid PubChem CID: 85477 IUPAC Name: 4-methyl-3,5-dinitrobenzoic acid SMILES: CC1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O

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Specifications

PubChem CID	85477
CAS	16533-71-4
Molecular Weight (g/mol)	226.14
MDL Number	MFCD00007175
SMILES	CC1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O
Synonym	4-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-4-methylbenzoic acid,3,5-dinitro-p-toluic acid,3,5-dinitro-4-methyl benzoic acid,benzoic acid, 4-methyl-3,5-dinitro,p-toluic acid, 3,5-dinitro,acmc-209dsg,p-toluic acid,5-dinitro,ksc496a8j,3,5-dinitro-4-methylbenzoicacid
IUPAC Name	4-methyl-3,5-dinitrobenzoic acid
InChI Key	LZWWZQXBKVZKIP-UHFFFAOYSA-N
Molecular Formula	C8H6N2O6

210

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

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