2,4-dichloro-7-(trifluoromethyl)quinazoline - CAS 396-02-1

Catalog:	BB024050
Product Name:	2,4-dichloro-7-(trifluoromethyl)quinazoline
CAS:	396-02-1
Synonyms:	2,4-dichloro-7-(trifluoromethyl)quinazoline; 2,4-dichloro-7-(trifluoromethyl)quinazoline

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Computed Properties

IUPAC Name:	2,4-dichloro-7-(trifluoromethyl)quinazoline
Description:	2,4-dichloro-7-(trifluoromethyl)quinazoline (CAS# 396-02-1 ) is a useful research chemical.
Molecular Weight:	267.032
Molecular Formula:	C9H3Cl2F3N2
Canonical SMILES:	C1=CC2=C(C=C1C(F)(F)F)N=C(N=C2Cl)Cl
InChI:	InChI=1S/C9H3Cl2F3N2/c10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7/h1-3H
InChI Key:	PRJBXUBPUYNFQF-UHFFFAOYSA-N
Boiling Point:	222.3 °C at 760 mmHg
Density:	1.595 g/cm³
LogP:	3.95540

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2020018848-A1	Methods of culturing and/or expanding stem cells and/or lineage committed progenitor cells using amido compounds	20180719
WO-2019018562-A1	AMIDO COMPOUND AS MODULATORS OF AHR	20170719
US-2021115016-A1	AMIDO COMPOUNDS AS AhR MODULATORS	20170719
AU-2018283053-A1	Imidazole-containing inhibitors of ALK2 kinase	20170615

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.962538
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.962538
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3