2,6-Dinitrobenzoic Acid - CAS 603-12-3

Catalog:	BB030648
Product Name:	2,6-Dinitrobenzoic Acid
CAS:	603-12-3
Synonyms:	2,6-dinitrobenzoic acid; 2,6-dinitrobenzoic acid

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2,6-dinitrobenzoic acid
Description:	2,6-Dinitrobenzoic Acid (CAS# 603-12-3) is a urinary metabolite of nitrotoluenes.
Molecular Weight:	212.12
Molecular Formula:	C7H4N2O6
Canonical SMILES:	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11)
InChI Key:	HKKWSIQQYJTJLW-UHFFFAOYSA-N
Boiling Point:	395.5 °C at 760 mmHg
Density:	1.688 g/cm³
LogP:	2.24760

Publication Number	Title	Priority Date
CN-111620397-A	Treatment system and treatment method for nitric acid-containing system	20200624
CN-111792631-A	Device and method for treating nitric acid containing high-boiling-point organic matters	20200624
CN-212450641-U	Nitric acid treatment device containing high-boiling point organic matter	20200624
CN-112442070-A	Phosphorus-containing flame retardant with isocyanate group and preparation method and application thereof	20190828
EP-3712161-A1	Process for preparing high puritiy allopregnanolone and intermediates thereof	20190319

PMID	Publication Date	Title	Journal
16097390	20050101	Urinary metabolites of workers exposed to nitrotoluenes	Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.00693585
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.00693585
Rotatable Bond Count:	1
Topological Polar Surface Area:	129
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8