4-Chloroquinazoline - CAS 5190-68-1

Catalog:	BB027647
Product Name:	4-Chloroquinazoline
CAS:	5190-68-1
Synonyms:	4-chloroquinazoline; 4-chloroquinazoline

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Computed Properties

IUPAC Name:	4-chloroquinazoline
Description:	4-Chloroquinazoline can be used to prepare agricultural fungicides.
Molecular Weight:	164.59
Molecular Formula:	C8H5ClN2
Canonical SMILES:	C1=CC=C2C(=C1)C(=NC=N2)Cl
InChI:	InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
InChI Key:	GVRRXASZZAKBMN-UHFFFAOYSA-N
Boiling Point:	281 °C at 760 mmHg
Density:	1.349 g/cm³
MDL:	MFCD00228682
LogP:	2.28320

Publication Number	Title	Priority Date
CN-113200927-A	Synthesis method of N- (3-ethynylphenyl) -quinazoline-4-amine	20210430
CN-113004210-A	Quinazoline-4-selenium salt compound, preparation method and biological activity	20210329
CN-113004211-A	Quinazoline-4-selenoether derivative, preparation method and biological activity	20210329
CN-112457260-A	N-heterocyclic aryl quinazoline-4-amine compound and preparation method thereof	20201208
CN-112390781-A	Diaryl substituted 1, 1-ethylene compound, preparation method and application	20201118

PMID	Publication Date	Title	Journal
22891752	20120913	Design, synthesis, and pharmacological evaluation of N-acylhydrazones and novel conformationally constrained compounds as selective and potent orally active phosphodiesterase-4 inhibitors	Journal of medicinal chemistry
18991714	20080101	Imaging of EGFR and EGFR tyrosine kinase overexpression in tumors by nuclear medicine modalities	Current pharmaceutical design
17962758	20060410	Microwave assisted synthesis of N-arylheterocyclic substituted-4-aminoquinazoline derivatives	Molecules (Basel, Switzerland)

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Related Functional Groups

Halides

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1-Bromo-2-(1,1-difluoroethyl)benzene
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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:	1.9