5-Chloro-2-(chloromethyl)pyrimidine Hydrochloride - CAS 1427454-12-3

Catalog:	BB069282
Product Name:	5-Chloro-2-(chloromethyl)pyrimidine Hydrochloride
CAS:	1427454-12-3
Synonyms:	5-Chloro-2-(chloromethyl)pyrimidine hydrochloride; 5-Chloro-2-(chloromethyl)pyrimidine HCl; 5-chloro-2-(chloromethyl)pyrimidine; hydrochloride; 2-Chloromethyl-5-chloropyrimidine hydrochloride

Technical Data

IUPAC Name:	5-chloro-2-(chloromethyl)pyrimidinehydrochloride
Description:	5-Chloro-2-(chloromethyl)pyrimidine Hydrochloride (cas# 1427454-12-3) is a useful research chemical. It is the chlorine salt of 5-Chloro-2-(chloromethyl)pyrimidine (C364325) which is used as a reagent in the synthesis of fused benzoxazepinones as ion channel modulators.
Molecular Weight:	163 + (36.46)
Molecular Formula:	C5H4N2Cl2·HCl
Canonical SMILES:	C1=C(C=NC(=N1)CCl)Cl.Cl
InChI:	InChI=1S/C5H4Cl2N2.ClH/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H21H
InChI Key:	MZEDEZDHLRCCOW-UHFFFAOYSA-N
References:	Corkey, B.K., et al. PCT Int. Appl. WO 2013006485 A1 20130110. Jan 10, 2013.

Complexity:	81
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.951831
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.951831
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0