2-Amino-5-nitrobenzoic Acid - CAS 616-79-5

Name: 2-Amino-5-nitrobenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031222
Product Name:	2-Amino-5-nitrobenzoic Acid
CAS:	616-79-5
Synonyms:	2-Amino-5-nitrobenzoic acid, a nitroaromatic compound secreted by Streptomyces scabies, is a raw material for the synthesis of dyes and other nitroaromatic compounds.

Technical Data

IUPAC Name:	5NAA; Benzoic acid, 2-amino-5-nitro-; Anthranilic acid, 5-nitro-; 5-Nitro-2-aminobenzoic acid; 5-Nitroanthranilic acid; NSC 16208; NSC 63867
Description:	1.568±0.06 g/cm3
Molecular Weight:	182.13
Molecular Formula:	C7H6N2O4
Canonical SMILES:	Soluble in DMSO, Methanol
InChI:	InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChI Key:	RUCHWTKMOWXHLU-UHFFFAOYSA-N
Boiling Point:	437.9 °C at 760 mmHg
Melting Point:	437.9±35.0°C at 760 mmHg
Purity:	≥95%
Density:	265°C (dec.)
Solubility:	Store at 2-8°C
Appearance:	Yellow Solid
MDL:	MFCD00017039
LogP:	1.97960

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22347111	20120201	2-Amino-5-nitro-benzoic acid	Acta crystallographica. Section E, Structure reports online
22224092	20110701	Synthesis of some new tricyclic 4(3H)-quinazolinone derivatives	Research in pharmaceutical sciences
21498645	20110601	Molecular and biochemical characterization of the 5-nitroanthranilic acid degradation pathway in Bradyrhizobium sp. strain JS329	Journal of bacteriology
20603549	20100701	Diamminesilver(I) bis(2-amino-5-nitrobenzoato-kappa2O1,O1')silver(I): a two-dimensional supramolecular sheet with a short intersheet distance containing a rare four-coordinate planar silver(I) centre	Acta crystallographica. Section C, Crystal structure communications
20081004	20100301	Biodegradation of 5-nitroanthranilic acid by Bradyrhizobium sp. strain JS329	Applied and environmental microbiology

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.03275668
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.03275668
Rotatable Bond Count:	1
Topological Polar Surface Area:	109 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9