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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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1 – 15 of 217 results
1

2-Nitrobenzoic acid, 95%

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-]

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
2

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
3

3-Nitrobenzoic acid, 99%

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

PubChem CID 8497
CAS 121-92-6
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007251
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4

Methyl 3-hydroxy-4-nitrobenzoate, 98%

CAS: 713-52-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00016997 InChI Key: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonym: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate PubChem CID: 294866 IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

PubChem CID 294866
CAS 713-52-0
Molecular Weight (g/mol) 197.146
MDL Number MFCD00016997
SMILES COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Synonym benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate
IUPAC Name methyl 3-hydroxy-4-nitrobenzoate
InChI Key UEGCRFNWTGYVKX-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5

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
6

Methyl 4-amino-3-bromo-5-nitrobenzoate, 97%, Thermo Scientific Chemicals

CAS: 105655-17-2 Molecular Formula: C8H7BrN2O4 Molecular Weight (g/mol): 275.058 MDL Number: MFCD08443938 InChI Key: PRTLMEWWYBJZPN-UHFFFAOYSA-N Synonym: methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester PubChem CID: 13685347 IUPAC Name: methyl 4-amino-3-bromo-5-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]

PubChem CID 13685347
CAS 105655-17-2
Molecular Weight (g/mol) 275.058
MDL Number MFCD08443938
SMILES COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
Synonym methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester
IUPAC Name methyl 4-amino-3-bromo-5-nitrobenzoate
InChI Key PRTLMEWWYBJZPN-UHFFFAOYSA-N
Molecular Formula C8H7BrN2O4
7

2-Fluoro-3-nitrobenzoic acid, 97%

CAS: 317-46-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD06797825 InChI Key: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro PubChem CID: 18672992 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O

PubChem CID 18672992
CAS 317-46-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD06797825
SMILES OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
Synonym 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro
IUPAC Name 2-fluoro-3-nitrobenzoic acid
InChI Key WLGUSLGYTNJJFV-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
8

3,4-Dinitrobenzoic acid, 99%

CAS: 528-45-0 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007255 InChI Key: OMVRRHJJQILIJX-UHFFFAOYSA-N Synonym: 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956 PubChem CID: 10709 IUPAC Name: 3,4-dinitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 10709
CAS 528-45-0
Molecular Weight (g/mol) 212.12
MDL Number MFCD00007255
SMILES OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956
IUPAC Name 3,4-dinitrobenzoic acid
InChI Key OMVRRHJJQILIJX-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
9

1-Methyl-1,2,3,4-tetrahydroisoquinoline, 95%

CAS: 4965-09-7 MDL Number: MFCD00798989

CAS 4965-09-7
MDL Number MFCD00798989
10

3-Methoxy-4-nitrobenzoic acid, 98+%

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-]

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
11

3-Hydroxy-2-nitrobenzoic acid, 98+%

CAS: 602-00-6 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017003 InChI Key: KPDBKQKRDJPBRM-UHFFFAOYSA-N Synonym: 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid PubChem CID: 293291 SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O

PubChem CID 293291
CAS 602-00-6
Molecular Weight (g/mol) 183.119
MDL Number MFCD00017003
SMILES C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O
Synonym 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid
InChI Key KPDBKQKRDJPBRM-UHFFFAOYSA-N
Molecular Formula C7H5NO5
12

5-Amino-2-nitrobenzoic acid, 95%

CAS: 13280-60-9 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00035748 InChI Key: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]

PubChem CID 83298
CAS 13280-60-9
Molecular Weight (g/mol) 182.135
MDL Number MFCD00035748
SMILES C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
Synonym 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid
InChI Key KZZWQCKYLNIOBT-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
13

Methyl 2-methoxy-5-nitrobenzoate, 98%

CAS: 34841-11-7 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.173 MDL Number: MFCD00673023 InChI Key: DOBFJVVTBNTGCW-UHFFFAOYSA-N Synonym: 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757 PubChem CID: 7020925 IUPAC Name: methyl 2-methoxy-5-nitrobenzoate SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 7020925
CAS 34841-11-7
Molecular Weight (g/mol) 211.173
MDL Number MFCD00673023
SMILES COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757
IUPAC Name methyl 2-methoxy-5-nitrobenzoate
InChI Key DOBFJVVTBNTGCW-UHFFFAOYSA-N
Molecular Formula C9H9NO5
14

Methyl 2-nitrobenzoate, 98+%

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-]

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
15

5,5'-Dithiobis-(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

PubChem CID 6254
CAS 69-78-3
Molecular Weight (g/mol) 396.34
ChEBI CHEBI:86228
MDL Number MFCD00007140
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula C14H8N2O8S2