4-(2-Nitrophenyl)thiazole-2-amine - CAS 90323-06-1

Catalog:	BB039816
Product Name:	4-(2-Nitrophenyl)thiazole-2-amine
CAS:	90323-06-1
Synonyms:	4-(2-nitrophenyl)-2-thiazolamine; 4-(2-nitrophenyl)-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-(2-nitrophenyl)-1,3-thiazol-2-amine
Description:	4-(2-Nitrophenyl)thiazole-2-amine (CAS# 90323-06-1) is a useful research chemical.
Molecular Weight:	221.24
Molecular Formula:	C9H7N3O2S
Canonical SMILES:	C1=CC=C(C(=C1)C2=CSC(=N2)N)[N+](=O)[O-]
InChI:	InChI=1S/C9H7N3O2S/c10-9-11-7(5-15-9)6-3-1-2-4-8(6)12(13)14/h1-5H,(H2,10,11)
InChI Key:	JJERKMNYIBNFTE-UHFFFAOYSA-N
Boiling Point:	429.8 °C at 760 mmHg
Density:	1.459 g/cm³
LogP:	3.40490

Publication Number	Title	Priority Date
CN-101492426-A	Thiazole schiff base containing nitryl, preparation and uses thereof	20090311
CN-101492426-B	Thiazole schiff base containing nitryl, preparation and uses thereof	20090311
US-2010063051-A1	MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF	20061101
US-7968577-B2	Modulators of glucocorticoid receptor, AP-1, and/or NF-ÎºB activity and use thereof	20061101
WO-2008057862-A2	MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF	20061101

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.02589765
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.02589765
Rotatable Bond Count:	1
Topological Polar Surface Area:	113
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1