4-Chloro-8-methylquinazoline - CAS 58421-80-0

Catalog:	BB030037
Product Name:	4-Chloro-8-methylquinazoline
CAS:	58421-80-0
Synonyms:	4-chloro-8-methylquinazoline; 4-chloro-8-methylquinazoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-8-methylquinazoline
Description:	4-Chloro-8-methylquinazoline (CAS# 58421-80-0) is a useful research chemical.
Molecular Weight:	178.62
Molecular Formula:	C9H7ClN2
Canonical SMILES:	CC1=CC=CC2=C1N=CN=C2Cl
InChI:	InChI=1S/C9H7ClN2/c1-6-3-2-4-7-8(6)11-5-12-9(7)10/h2-5H,1H3
InChI Key:	UTBDPFFXKANFFT-UHFFFAOYSA-N
Boiling Point:	298.2 °C at 760 mmHg
Density:	1.292 g/cm³
MDL:	MFCD08457971
LogP:	2.59160

Publication Number	Title	Priority Date
CN-112300141-A	Quinazoline-containing myricetin derivative, and preparation method and application thereof	20201012
WO-2021174164-A1	Compounds and methods for modulating splicing	20200228
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020210404-A1	Dosage forms and regimens for amino acid compounds	20190408
CN-108530427-A	A kind of 1,4- pentadiene -3- ketoxime ethers derivative, preparation method and application containing quinazoline	20180410

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0297759
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9