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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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Physical Form

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1 – 15 of 217 results
1

5-Chloro-2-nitrobenzoic acid, 99%

CAS: 2516-95-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007290 InChI Key: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate PubChem CID: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

PubChem CID 17286
CAS 2516-95-2
Molecular Weight (g/mol) 201.562
MDL Number MFCD00007290
SMILES C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]
Synonym 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate
InChI Key ZKUYSJHXBFFGPU-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
2

5-Chloro-2,4-dinitrobenzoic acid, 98%

CAS: 136833-36-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00091829 InChI Key: VVQOEJCXWMGEJG-UHFFFAOYSA-N Synonym: 5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid PubChem CID: 3727860 SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

PubChem CID 3727860
CAS 136833-36-8
Molecular Weight (g/mol) 246.559
MDL Number MFCD00091829
SMILES C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Synonym 5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid
InChI Key VVQOEJCXWMGEJG-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O6
3

3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 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

PubChem CID 69043
CAS 603-11-2
Molecular Weight (g/mol) 211.13
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
4

Methyl 2-methyl-3-nitrobenzoate, 97%

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

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
5

4-Hydroxy-3-nitrobenzoic acid, 98%

CAS: 616-82-0 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007119 InChI Key: QRYSWXFQLFLJTC-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p PubChem CID: 12033 IUPAC Name: 4-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O

PubChem CID 12033
CAS 616-82-0
Molecular Weight (g/mol) 183.12
MDL Number MFCD00007119
SMILES OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O
Synonym 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p
IUPAC Name 4-hydroxy-3-nitrobenzoic acid
InChI Key QRYSWXFQLFLJTC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
6

Nitroterephthalic acid, 99%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
7

2-Methyl-5-nitrobenzoic acid, 98+%

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

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
8

4,5-Dimethoxy-2-nitrobenzoic acid, 98%

CAS: 4998-07-6 MDL Number: MFCD00014697

CAS 4998-07-6
MDL Number MFCD00014697
9

Methyl 2,5-difluoro-4-nitrobenzoate, 95%

CAS: 924868-81-5 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.13 MDL Number: MFCD08689670 InChI Key: XBUVRWIIEREYFL-UHFFFAOYSA-N Synonym: methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester PubChem CID: 18526058 IUPAC Name: methyl 2,5-difluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O

PubChem CID 18526058
CAS 924868-81-5
Molecular Weight (g/mol) 217.13
MDL Number MFCD08689670
SMILES COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O
Synonym methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester
IUPAC Name methyl 2,5-difluoro-4-nitrobenzoate
InChI Key XBUVRWIIEREYFL-UHFFFAOYSA-N
Molecular Formula C8H5F2NO4
10

5-Hydroxy-2-nitrobenzoic acid, 99%

CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

PubChem CID 11882
CAS 610-37-7
Molecular Weight (g/mol) 183.119
MDL Number MFCD00017566
SMILES C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula C7H5NO5
11

4-Chloro-3,5-dinitrobenzoic acid, 97%

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

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
12

Methyl 5-fluoro-2-nitrobenzoate, 98%

CAS: 393-85-1 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD03425619 InChI Key: LCAUVFVOLNRVKG-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzoic acid methyl ester,5-fluoro-2-nitrobenzoic acid methyl ester,2-nitro-5-fluorobenzoic acid, methyl ester,benzoic acid, 5-fluoro-2-nitro-, methyl ester,methyl 5fluoro-2-nitrobenzoate,methyl5-fluoro-2-nitrobenzoate,2-nitro-5-fluorobenzoic acid,methyl ester,3-fluoro-6-nitrobenzoic acid methyl ester,5-fluoro-2-nitro-benzoic acid methyl ester,benzoic acid,5-fluoro-2-nitro-, methyl ester PubChem CID: 5152049 IUPAC Name: methyl 5-fluoro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(F)=C1)[N+]([O-])=O

PubChem CID 5152049
CAS 393-85-1
Molecular Weight (g/mol) 199.14
MDL Number MFCD03425619
SMILES COC(=O)C1=C(C=CC(F)=C1)[N+]([O-])=O
Synonym 2-nitro-5-fluorobenzoic acid methyl ester,5-fluoro-2-nitrobenzoic acid methyl ester,2-nitro-5-fluorobenzoic acid, methyl ester,benzoic acid, 5-fluoro-2-nitro-, methyl ester,methyl 5fluoro-2-nitrobenzoate,methyl5-fluoro-2-nitrobenzoate,2-nitro-5-fluorobenzoic acid,methyl ester,3-fluoro-6-nitrobenzoic acid methyl ester,5-fluoro-2-nitro-benzoic acid methyl ester,benzoic acid,5-fluoro-2-nitro-, methyl ester
IUPAC Name methyl 5-fluoro-2-nitrobenzoate
InChI Key LCAUVFVOLNRVKG-UHFFFAOYSA-N
Molecular Formula C8H6FNO4
13

4-Bromo-3-nitrobenzoic acid, 95%

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

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
14

Methyl 2-nitro-3,4,5-trimethoxybenzoate, 98%

CAS: 5081-42-5 Molecular Formula: C11H13NO7 Molecular Weight (g/mol): 271.225 MDL Number: MFCD00007097 InChI Key: HCEIEWYPDCDNNU-UHFFFAOYSA-N Synonym: methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate PubChem CID: 78765 IUPAC Name: methyl 3,4,5-trimethoxy-2-nitrobenzoate SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC

PubChem CID 78765
CAS 5081-42-5
Molecular Weight (g/mol) 271.225
MDL Number MFCD00007097
SMILES COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC
Synonym methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate
IUPAC Name methyl 3,4,5-trimethoxy-2-nitrobenzoate
InChI Key HCEIEWYPDCDNNU-UHFFFAOYSA-N
Molecular Formula C11H13NO7
15

2-Methyl-5-nitrobenzoic acid, 99+%, Thermo Scientific™

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 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

PubChem CID 519683
CAS 1975-52-6
Molecular Weight (g/mol) 181.15
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