2-Chloroquinazoline - CAS 6141-13-5

Catalog:	BB031092
Product Name:	2-Chloroquinazoline
CAS:	6141-13-5
Synonyms:	2-chloroquinazoline; 2-chloroquinazoline

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Computed Properties

IUPAC Name:	2-chloroquinazoline
Description:	2-Chloroquinazoline (CAS# 6141-13-5) is a useful research chemical.
Molecular Weight:	164.59
Molecular Formula:	C8H5ClN2
Canonical SMILES:	C1=CC=C2C(=C1)C=NC(=N2)Cl
InChI:	InChI=1S/C8H5ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H
InChI Key:	WMPTYRGXBUYONY-UHFFFAOYSA-N
Boiling Point:	250 °C at 760 mmHg
Density:	1.349 g/cm³
MDL:	MFCD09959715
LogP:	2.28320

Publication Number	Title	Priority Date
CN-111253325-A	Amino quinazoline aryl piperazine compound and pharmaceutical composition and application thereof	20200325
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124
WO-2021126973-A1	Compounds modulating protein recruitment and/or degradation	20191217
CN-110526873-A	The benzo Diarylmiazines compound and its preparation method and application that acrylonitrile base replaces	20190815
WO-2021017996-A1	Phenylpiperazine quinazoline compound or pharmaceutically acceptable salt thereof, and preparation method therefor and use thereof	20190726

PMID	Publication Date	Title	Journal
21294532	20110318	POCl3 chlorination of 4-quinazolones	The Journal of organic chemistry
12423172	20021115	A modified synthesis of iodoazidoaryl prazosin	The Journal of organic chemistry

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Related Functional Groups

Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[20028-72-2]
2-Amino-6-fluoroquinazoline
[177592-08-4]
Ethyl [(3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
[37793-53-6]
N10-(Trifluoroacetyl)pteroic acid
[20198-18-9]
2-Amino-7-chloro-3H-quinazolin-4-one
[690683-99-9]
2-Mercapto-3-(4-methylcyclohexyl)quinazolin-4(3H)-one

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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

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.0141259
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6