4-Chloro-6-methoxypyrimidine - CAS 26452-81-3

Catalog:	BB019286
Product Name:	4-Chloro-6-methoxypyrimidine
CAS:	26452-81-3
Synonyms:	4-chloro-6-methoxypyrimidine; 4-chloro-6-methoxypyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-6-methoxypyrimidine
Description:	4-Chloro-6-methoxypyrimidine (CAS# 26452-81-3) is a useful research chemical.
Molecular Weight:	144.56
Molecular Formula:	C5H5ClN2O
Canonical SMILES:	COC1=CC(=NC=N1)Cl
InChI:	InChI=1S/C5H5ClN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChI Key:	KLJGSQVYUGQOAW-UHFFFAOYSA-N
Boiling Point:	225.3 °C at 760 mmHg
Purity:	98 %
Density:	1.292 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD06200211
LogP:	1.13860

Publication Number	Title	Priority Date
CN-112403514-A	Catalytic system for preparing azoxystrobin intermediate and azoxystrobin preparation method	20201130
WO-2021207659-A1	Crystalline forms of (9r, 135s)-13- {4-[5-chloro-2-(4-chloro-1h,2,3- triazol- 1 -yl)phenyl] -6-oxo- 1,6-dihydropyrimidin- 1-yl}-3-(difluoromethyl)-9-methyl-3,4,7,15- tetraazatricyclo [ 12.3.1.02Â·6] octadeca- 1(18), 2(6), 4, 14, 16-pentaen-8-one	20200410
WO-2021074325-A1	Herbicidal compounds	20191017
WO-2021057818-A1	Fxia inhibitors and preparation method therefor and pharmaceutical use thereof	20190927
WO-2020231977-A1	Compounds for treating huntington's disease	20190513

PMID	Publication Date	Title	Journal
21578352	20091017	N-[2-Chloro-6-(4-chloro-6-methoxy-pyrimidin-2-ylsulfan-yl)benz-yl]-3,4-dimethyl-aniline	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	91
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:	1.5