2-Chloro-4-ethylpyrimidine - CAS 188707-99-5

Catalog:	BB014540
Product Name:	2-Chloro-4-ethylpyrimidine
CAS:	188707-99-5
Synonyms:	2-chloro-4-ethylpyrimidine; 2-chloro-4-ethylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-ethylpyrimidine
Description:	2-Chloro-4-ethylpyrimidine (CAS# 188707-99-5 ) is a useful research chemical.
Molecular Weight:	142.59
Molecular Formula:	C6H7ClN2
Canonical SMILES:	CCC1=NC(=NC=C1)Cl
InChI:	InChI=1S/C6H7ClN2/c1-2-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3
InChI Key:	QHIVQBQKAWDOCN-UHFFFAOYSA-N
LogP:	1.69240

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
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219
KR-102128509-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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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:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.0297759
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.0297759
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2