5-Amino-3-(trifluoromethyl)isoxazole - CAS 108655-63-6

Catalog:	BB002309
Product Name:	5-Amino-3-(trifluoromethyl)isoxazole
CAS:	108655-63-6
Synonyms:	3-(trifluoromethyl)-5-isoxazolamine; 3-(trifluoromethyl)-1,2-oxazol-5-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(trifluoromethyl)-1,2-oxazol-5-amine
Description:	5-Amino-3-(trifluoromethyl)isoxazole (CAS# 108655-63-6) is a useful research chemical.
Molecular Weight:	152.07
Molecular Formula:	C4H3F3N2O
Canonical SMILES:	C1=C(ON=C1C(F)(F)F)N
InChI:	InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(8)10-9-2/h1H,8H2
InChI Key:	PAYOWUGPXPPRPB-UHFFFAOYSA-N
Boiling Point:	216.072 °C at 760 mmHg
Density:	1.502 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD04972407
LogP:	1.85680

Publication Number	Title	Priority Date
AU-2014353006-A1	Quinazoline derivatives as TAM family kinase inhibitors	20131120
AU-2014353006-B2	Quinazoline derivatives as TAM family kinase inhibitors	20131120
CN-105916506-B	Quinazoline derivatives as inhibitors of TAM family kinases	20131120
EP-3071204-A1	Quinazoline derivatives as tam family kinase inhibitors	20131120
EP-3071204-B1	Quinazoline derivatives as tam family kinase inhibitors	20131120

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.01974721
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.01974721
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9