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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

3-Bromo-4-nitrobenzoic acid, 97%

CAS: 101420-81-9 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD04117949 InChI Key: KKPPNEJUUOQRLE-UHFFFAOYSA-N Synonym: 3-bromo-4-nitrobenzoic acid,3-bromo-4-nitrobenzoicacid,benzoic acid,3-bromo-4-nitro,benzoic acid, 3-bromo-4-nitro,3-bromo-4-nitrobenzoic acid 97,pubchem16301,acmc-209x3e,4-nitro-3-bromobenzoic acid,3-bromo-4-nitro-benzoic acid PubChem CID: 16218087 IUPAC Name: 3-bromo-4-nitrobenzoic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O

PubChem CID 16218087
CAS 101420-81-9
Molecular Weight (g/mol) 246.02
MDL Number MFCD04117949
SMILES OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O
Synonym 3-bromo-4-nitrobenzoic acid,3-bromo-4-nitrobenzoicacid,benzoic acid,3-bromo-4-nitro,benzoic acid, 3-bromo-4-nitro,3-bromo-4-nitrobenzoic acid 97,pubchem16301,acmc-209x3e,4-nitro-3-bromobenzoic acid,3-bromo-4-nitro-benzoic acid
IUPAC Name 3-bromo-4-nitrobenzoic acid
InChI Key KKPPNEJUUOQRLE-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
2

3-Nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

PubChem CID 616602
CAS 328-80-3
Molecular Weight (g/mol) 235.118
MDL Number MFCD00024509
SMILES C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012
InChI Key ODCLHXGXGFBBTA-UHFFFAOYSA-N
Molecular Formula C8H4F3NO4
3

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
4

Methyl 3-methyl-4-nitrobenzoate, 97%

CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

PubChem CID 260927
CAS 24078-21-5
Molecular Weight (g/mol) 195.174
MDL Number MFCD00085640
SMILES CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
Synonym benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d
IUPAC Name methyl 3-methyl-4-nitrobenzoate
InChI Key IEFONJKJLZFGKQ-UHFFFAOYSA-N
Molecular Formula C9H9NO4
5

Methyl 4-nitrobenzoate, 99%

CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 12083
CAS 619-50-1
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007350
SMILES COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester
IUPAC Name methyl 4-nitrobenzoate
InChI Key YOJAHJGBFDPSDI-UHFFFAOYSA-N
Molecular Formula C8H7NO4
6

2-Amino-6-nitrobenzoic acid, 97%

CAS: 50573-74-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00034785 InChI Key: GGKYLHNARFFORH-UHFFFAOYSA-N Synonym: 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d PubChem CID: 95795 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N

PubChem CID 95795
CAS 50573-74-5
Molecular Weight (g/mol) 182.135
MDL Number MFCD00034785
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N
Synonym 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d
InChI Key GGKYLHNARFFORH-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
7

Methyl 4-iodo-3-nitrobenzoate, 99%

CAS: 89976-27-2 Molecular Formula: C8H6INO4 Molecular Weight (g/mol): 307.043 MDL Number: MFCD08064223 InChI Key: SCMBIQRYVKITCY-UHFFFAOYSA-N PubChem CID: 297884 IUPAC Name: methyl 4-iodo-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-]

PubChem CID 297884
CAS 89976-27-2
Molecular Weight (g/mol) 307.043
MDL Number MFCD08064223
SMILES COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-]
IUPAC Name methyl 4-iodo-3-nitrobenzoate
InChI Key SCMBIQRYVKITCY-UHFFFAOYSA-N
Molecular Formula C8H6INO4
8

Methyl 4-fluoro-3-nitrobenzoate, 98%

CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O

PubChem CID 5219721
CAS 329-59-9
Molecular Weight (g/mol) 199.14
MDL Number MFCD00196161
SMILES COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O
Synonym methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate
IUPAC Name methyl 4-fluoro-3-nitrobenzoate
InChI Key CNJJSTPBUHAEFH-UHFFFAOYSA-N
Molecular Formula C8H6FNO4
9

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
10

Methyl 2-chloro-4-nitrobenzoate, 98%

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

PubChem CID 83343
CAS 13324-11-3
Molecular Weight (g/mol) 215.59
MDL Number MFCD00017013
SMILES COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name methyl 2-chloro-4-nitrobenzoate
InChI Key PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula C8H6ClNO4
11

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
12

4-Bromo-2-nitrobenzoic acid, 97%

CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

PubChem CID 3774467
CAS 99277-71-1
Molecular Weight (g/mol) 245.01
MDL Number MFCD01013599
SMILES [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonym 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
IUPAC Name 4-bromo-2-nitrobenzoate
InChI Key ZIRHHEZLJGORGU-UHFFFAOYSA-M
Molecular Formula C7H3BrNO4
13

4-Fluoro-3-nitrobenzoic acid, 98%

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

PubChem CID 67987
CAS 453-71-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD00007058
SMILES OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
IUPAC Name 4-fluoro-3-nitrobenzoic acid
InChI Key BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
14

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
15

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