2-Chloro-5-methoxypyrimidine - CAS 22536-65-8

Catalog:	BB017657
Product Name:	2-Chloro-5-methoxypyrimidine
CAS:	22536-65-8
Synonyms:	2-chloro-5-methoxypyrimidine

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Computed Properties

IUPAC Name:	2-chloro-5-methoxypyrimidine
Description:	2-Chloro-5-methoxypyrimidine (CAS# 22536-65-8) is used in the regioselective synthesis of aminoimidazopyrimidines with triflic anhydride and pyridine bases.
Molecular Weight:	144.56
Molecular Formula:	C5H5ClN2O
Canonical SMILES:	COC1=CN=C(N=C1)Cl
InChI:	InChI=1S/C5H5ClN2O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3
InChI Key:	RSUBGBZOMBTDTI-UHFFFAOYSA-N
Boiling Point:	268.8 ℃ at 760 mmHg
Density:	1.292 g/cm³
MDL:	MFCD08702770
LogP:	1.13860

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
US-2021236663-A1	Compounds and probes for imaging huntingtin protein	20191218
WO-2021127265-A1	Compounds and probes for imaging huntingtin protein	20191218
CN-112778183-A	Nitrogen-containing ring derivative regulator, preparation method and application thereof	20191105

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GHS Hazard Statement:	H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	83
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0090405
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1