2,4-dichloro-6-methoxyquinazoline - CAS 105763-77-7

Catalog:	BB001709
Product Name:	2,4-dichloro-6-methoxyquinazoline
CAS:	105763-77-7
Synonyms:	2,4-dichloro-6-methoxyquinazoline; 2,4-dichloro-6-methoxyquinazoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,4-dichloro-6-methoxyquinazoline
Description:	2,4-dichloro-6-methoxyquinazoline (CAS# 105763-77-7) is a useful research chemical.
Molecular Weight:	229.06
Molecular Formula:	C9H6Cl2N2O
Canonical SMILES:	COC1=CC2=C(C=C1)N=C(N=C2Cl)Cl
InChI:	InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3
InChI Key:	WEAMQTSRMCCGSJ-UHFFFAOYSA-N
Boiling Point:	315.923 °C at 760 mmHg
Purity:	97.0 %
Density:	1.451 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09954880
LogP:	2.94520

Publication Number	Title	Priority Date
CN-111253326-A	2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof	20200317
CN-111253326-B	2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof	20200317
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2020063854-A1	Quinoline-based derivatives as vap-1 inhibitors	20180927
WO-2019213403-A1	Inhibitors of cyclin-dependent kinases	20180502

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Related Functional Groups

Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[20197-97-1]
2-Chloro-6-methoxyquinazolin-4(3H)-one
[2891993-38-5]
7-Bromo-2,4,6-trichloro-5,8-difluoroquinazoline
[267243-68-5]
Intermediate 2 of Canertinib
[333785-55-0]
3-(2-Furylmethyl)-2-mercaptoquinazolin-4(3H)-one
[67092-21-1]
2,5,6-Trichloroquinazoline

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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.9857182
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.9857182
Rotatable Bond Count:	1
Topological Polar Surface Area:	35
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4