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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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Keyword Search:
1 – 15 of 134 results
1

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

EDGE
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
2

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
3

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
4

2-Fluoro-4-nitrobenzoic acid, 98%

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

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
5

4-Chloro-2-nitrobenzoic acid, 97%

CAS: 6280-88-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007214 InChI Key: JAHIPDTWWVYVRV-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion PubChem CID: 80475 IUPAC Name: 4-chloro-2-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O

PubChem CID 80475
CAS 6280-88-2
Molecular Weight (g/mol) 201.56
MDL Number MFCD00007214
SMILES OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion
IUPAC Name 4-chloro-2-nitrobenzoic acid
InChI Key JAHIPDTWWVYVRV-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
6

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
7

2-Chloro-3,5-dinitrobenzoic acid, 97% (dry wt.), may cont. up to ca 5% water

CAS: 2497-91-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.56 MDL Number: MFCD00007070 InChI Key: ADTKEYLCJYYHHH-UHFFFAOYSA-N Synonym: 2-chloro-3,5-dinitrobenzoic acid,benzoic acid, 2-chloro-3,5-dinitro,2-carboxy-4,6-dinitrochlorobenzene,3,5-dinitro-2-chlorobenzoic acid,acmc-209uud,timtec-bb sbb003177,wln: wnr bg cvq enw,4-09-00-01359 beilstein handbook reference,ksc495o8b,2-chloro-3,5-dinitro-benzoicaci PubChem CID: 17247 IUPAC Name: 2-chloro-3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 17247
CAS 2497-91-8
Molecular Weight (g/mol) 246.56
MDL Number MFCD00007070
SMILES OC(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O
Synonym 2-chloro-3,5-dinitrobenzoic acid,benzoic acid, 2-chloro-3,5-dinitro,2-carboxy-4,6-dinitrochlorobenzene,3,5-dinitro-2-chlorobenzoic acid,acmc-209uud,timtec-bb sbb003177,wln: wnr bg cvq enw,4-09-00-01359 beilstein handbook reference,ksc495o8b,2-chloro-3,5-dinitro-benzoicaci
IUPAC Name 2-chloro-3,5-dinitrobenzoic acid
InChI Key ADTKEYLCJYYHHH-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O6
8

2-Methyl-6-nitrobenzoic acid, 98%

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

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
9

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
10

Methyl 4,5-dimethoxy-2-nitrobenzoate, 97%

CAS: 26791-93-5 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00007239 InChI Key: SYYKLKHBZGFKOC-UHFFFAOYSA-N Synonym: methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate PubChem CID: 117867 IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate SMILES: COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC

PubChem CID 117867
CAS 26791-93-5
Molecular Weight (g/mol) 241.199
MDL Number MFCD00007239
SMILES COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC
Synonym methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate
IUPAC Name methyl 4,5-dimethoxy-2-nitrobenzoate
InChI Key SYYKLKHBZGFKOC-UHFFFAOYSA-N
Molecular Formula C10H11NO6
11

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
12

2,4-Difluoro-5-nitrobenzoic acid, 97%

CAS: 153775-33-8 Molecular Formula: C7H2F2NO4 Molecular Weight (g/mol): 202.09 MDL Number: MFCD04115713 InChI Key: MDFSGDMPHMKKGB-UHFFFAOYSA-M PubChem CID: 2782822 IUPAC Name: 2,4-difluoro-5-nitrobenzoate SMILES: [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O

PubChem CID 2782822
CAS 153775-33-8
Molecular Weight (g/mol) 202.09
MDL Number MFCD04115713
SMILES [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O
IUPAC Name 2,4-difluoro-5-nitrobenzoate
InChI Key MDFSGDMPHMKKGB-UHFFFAOYSA-M
Molecular Formula C7H2F2NO4
13

2-Amino-5-nitrobenzoic acid, 98%

CAS: 616-79-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00017039 InChI Key: RUCHWTKMOWXHLU-UHFFFAOYSA-N Synonym: 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid PubChem CID: 12032 ChEBI: CHEBI:61280 IUPAC Name: 2-amino-5-nitrobenzoic acid SMILES: NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O

PubChem CID 12032
CAS 616-79-5
Molecular Weight (g/mol) 182.14
ChEBI CHEBI:61280
MDL Number MFCD00017039
SMILES NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O
Synonym 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid
IUPAC Name 2-amino-5-nitrobenzoic acid
InChI Key RUCHWTKMOWXHLU-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
14

5-Nitroisophthalic acid, 97+%

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

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
15

4-Nitrophthalic acid, 97%

CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O

PubChem CID 69121
CAS 610-27-5
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007252
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
Synonym 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8
InChI Key SLBQXWXKPNIVSQ-UHFFFAOYSA-N
Molecular Formula C8H5NO6