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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 – 11 of 11 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

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
4

5-Nitrosalicylic acid, 99%

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

PubChem CID 7318
CAS 96-97-9
Molecular Weight (g/mol) 183.12
ChEBI CHEBI:61281
MDL Number MFCD00007338
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
6

Methyl 2-Nitro-4-(trifluoromethyl)benzoate, TRC

CAS: 228418-45-9 Molecular Formula: C9H6F3NO4 Molecular Weight (g/mol): 249.15 Synonym: 2-Nitro-4-trifluoromethylbenzoic Acid Methyl Ester,Methyl 2-Nitro-4-trifluoromethylbenzoate IUPAC Name: methyl 2-nitro-4-(trifluoromethyl)benzoate SMILES: COC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

CAS 228418-45-9
Molecular Weight (g/mol) 249.15
SMILES COC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Synonym 2-Nitro-4-trifluoromethylbenzoic Acid Methyl Ester,Methyl 2-Nitro-4-trifluoromethylbenzoate
IUPAC Name methyl 2-nitro-4-(trifluoromethyl)benzoate
Molecular Formula C9H6F3NO4
7

5-Nitrobenzene-1,3-Dicarboxylic Acid, TRC

CAS: 618-88-2 Molecular Formula: C8 H5 N O6 Molecular Weight (g/mol): 211.13 Synonym: 5-Nitroisophtalic Acid,Glycopyrrolate Related Compound A (USP),5-Nitrobenzene-1,3-dicarboxylic acid,5-Nitro-isophthalic acid IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid SMILES: OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O

CAS 618-88-2
Molecular Weight (g/mol) 211.13
SMILES OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O
Synonym 5-Nitroisophtalic Acid,Glycopyrrolate Related Compound A (USP),5-Nitrobenzene-1,3-dicarboxylic acid,5-Nitro-isophthalic acid
IUPAC Name 5-nitrobenzene-1,3-dicarboxylic acid
Molecular Formula C8 H5 N O6
8

2',7'-Dichlorodihydrofluorescein Diacetate, TRC

CAS: 4091-99-0 Molecular Formula: C24H16Cl2O7 Molecular Weight (g/mol): 487.29 Synonym: 2-[3,6-Bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic Acid,o-(2,7-Dichloro-3,6-dihydroxyxanthen-9-yl)benzoic Acid Diacetate,2',7'-Dichlorodihydrofluorescein Diacetate,DCFH,H2DCFDA; SMILES: CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C2C4=CC=CC=C4C(=O)O)Cl)OC(=O)C)Cl

CAS 4091-99-0
Molecular Weight (g/mol) 487.29
SMILES CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C2C4=CC=CC=C4C(=O)O)Cl)OC(=O)C)Cl
Synonym 2-[3,6-Bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic Acid,o-(2,7-Dichloro-3,6-dihydroxyxanthen-9-yl)benzoic Acid Diacetate,2',7'-Dichlorodihydrofluorescein Diacetate,DCFH,H2DCFDA;
Molecular Formula C24H16Cl2O7
9

3,3'-Dithiobis[6-nitrobenzoic Acid], TRC

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.35 Synonym: 2,2'-Dinitro-5,5'-dithiodibenzoic Acid,3,3'-Dithiobis(6-nitrobenzoic Acid),5,5'-Dithiobis[2-nitrobenzoic Acid],Ba 2767,DTNB,Ellman’s Reagent IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-]

CAS 69-78-3
Molecular Weight (g/mol) 396.35
SMILES OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-]
Synonym 2,2'-Dinitro-5,5'-dithiodibenzoic Acid,3,3'-Dithiobis(6-nitrobenzoic Acid),5,5'-Dithiobis[2-nitrobenzoic Acid],Ba 2767,DTNB,Ellman’s Reagent
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Molecular Formula C14H8N2O8S2
11

2-Chloro-4-fluoro-5-nitrobenzoic acid, 97%, Thermo Scientific™

CAS: 114776-15-7 Molecular Formula: C7H3ClFNO4 Molecular Weight (g/mol): 219.552 MDL Number: MFCD04115715 InChI Key: SYZKAFCPWNFONG-UHFFFAOYSA-N PubChem CID: 7210828 SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O

PubChem CID 7210828
CAS 114776-15-7
Molecular Weight (g/mol) 219.552
MDL Number MFCD04115715
SMILES C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O
InChI Key SYZKAFCPWNFONG-UHFFFAOYSA-N
Molecular Formula C7H3ClFNO4