2,4-Dichloro-5-fluoroquinazoline - CAS 87611-00-5

Catalog:	BB038552
Product Name:	2,4-Dichloro-5-fluoroquinazoline
CAS:	87611-00-5
Synonyms:	2,4-dichloro-5-fluoroquinazoline; 2,4-dichloro-5-fluoroquinazoline

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichloro-5-fluoroquinazoline
Description:	2,4-Dichloro-5-fluoroquinazoline (CAS# 87611-00-5 ) is a useful research chemical.
Molecular Weight:	217.03
Molecular Formula:	C8H3Cl2FN2
Canonical SMILES:	C1=CC2=C(C(=C1)F)C(=NC(=N2)Cl)Cl
InChI:	InChI=1S/C8H3Cl2FN2/c9-7-6-4(11)2-1-3-5(6)12-8(10)13-7/h1-3H
InChI Key:	AXMYGHKVWFFYCR-UHFFFAOYSA-N
LogP:	3.07570

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
EP-3466954-A1	Fused phenylquinazolines bridged with a heteroatom	20171004
AU-2018283053-A1	Imidazole-containing inhibitors of ALK2 kinase	20170615
CN-110913855-A	Imidazole-containing ALK2 kinase inhibitors	20170615
EP-3638229-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:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.9657317
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.9657317
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6