5-(2-Chloroethyl)-1H-imidazole hydrochloride - CAS 6429-10-3

Catalog:	BB032428
Product Name:	5-(2-Chloroethyl)-1H-imidazole hydrochloride
CAS:	6429-10-3
Synonyms:	4-(2-Chloroethyl)-1H-imidazole hydrochloride; 1H-Imidazole, 4-(2-chloroethyl)-, monohydrochloride

Technical Data

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Computed Properties

IUPAC Name:	5-(2-chloroethyl)-1H-imidazole;hydrochloride
Description:	5-(2-Chloroethyl)-1H-imidazole hydrochloride (CAS# 6429-10-3 ) is a useful research chemical.
Molecular Weight:	167.03
Molecular Formula:	C5H8Cl2N2
Canonical SMILES:	C1=C(NC=N1)CCCl.Cl
InChI:	InChI=1S/C5H7ClN2.ClH/c6-2-1-5-3-7-4-8-5;/h3-4H,1-2H2,(H,7,8);1H
InChI Key:	VLYMIZRIGGBHSH-UHFFFAOYSA-N
Boiling Point:	347 °C at 760 mmHg
Purity:	95 %
LogP:	1.99300

Publication Number	Title	Priority Date
EP-0760811-A1	Imidazole derivatives as histamine receptor h 3? (ant)agonists	19950321
PT-760811-E	IMMEDIATE DERIVATIVES HISTAMINE H3 RECEPTOR MODULATORS	19950321
US-6248765-B1	Imidazole derivatives as histamine receptor H3 (ANT) agonists	19950321
WO-9629315-A2	Imidazole derivatives as histamine receptor h3 (ant)agonists	19950321
CA-2105867-C	Novel imidazole derivatives, their preparation and therapeutic applications	19920110

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	67.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0064537
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.0064537
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0