2-Chloro-4-methoxy-6-methylpyrimidine - CAS 22536-64-7

Catalog:	BB017656
Product Name:	2-Chloro-4-methoxy-6-methylpyrimidine
CAS:	22536-64-7
Synonyms:	2-chloro-4-methoxy-6-methylpyrimidine; 2-chloro-4-methoxy-6-methylpyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-4-methoxy-6-methylpyrimidine
Description:	2-Chloro-4-methoxy-6-methylpyrimidine (CAS# 22536-64-7) is a useful research chemical.
Molecular Weight:	158.59
Molecular Formula:	C6H7ClN2O
Canonical SMILES:	CC1=CC(=NC(=N1)Cl)OC
InChI:	InChI=1S/C6H7ClN2O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3
InChI Key:	HBGCZKKCKKDPOI-UHFFFAOYSA-N
Boiling Point:	268.4 °C at 760 mmHg
Density:	1.237 g/cm³
MDL:	MFCD08689881
LogP:	1.44700

Publication Number	Title	Priority Date
CN-110981825-A	2-nitrobenzophenones and process for their preparation	20191219
US-2020155538-A1	Quinoline derivatives	20181030
WO-2020092375-A1	Quinoline derivatives as alpha4beta7 integrin inhibitors	20181030
TW-202033492-A	Quinoline derivatives	20181030
CN-112969687-A	Quinoline derivatives as alpha 4 beta 7 integrin inhibitors	20181030

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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:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0246905
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9