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6429-10-3

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Basic Information
CAS No.: 6429-10-3
Name: 4-(2-CHLORO-ETHYL)-1H-IMIDAZOLE HCL
Article Data: 4
Molecular Structure:
Molecular Structure of 6429-10-3 (4-(2-CHLORO-ETHYL)-1H-IMIDAZOLE HCL)
Formula: C5H8Cl2N2
Molecular Weight: 167.038
Synonyms: 1H-Imidazole,4-(2-chloroethyl)-, monohydrochloride (9CI);Imidazole, 4-(2-chloroethyl)-,monohydrochloride (8CI);4-(2-Chloroethyl)-1H-imidazole hydrochloride;4-(2-Chloroethyl)imidazole hydrochloride;
Boiling Point: 347 °C at 760 mmHg
Flash Point: 163.7 °C
PSA: 28.68000
LogP: 1.99300
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Specification

The 1H-Imidazole,5-(2-chloroethyl)-, hydrochloride (1:1), with the CAS registry number 6429-10-3, is also known as NSC234732. This chemical's molecular formula is C5H8Cl2N2 and molecular weight is 166.006454. Its IUPAC name is called 5-(2-chloroethyl)-1H-imidazole hydrochloride.

Physical properties of 1H-Imidazole,5-(2-chloroethyl)-, hydrochloride (1:1): (1)ACD/LogP: 0.50; (2)ACD/LogD (pH 7.4): 0.27; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 26.55; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Flash Point: 163.7 °C; (11)Enthalpy of Vaporization: 60.29 kJ/mol; (12)Boiling Point: 347 °C at 760 mmHg; (13)Vapour Pressure: 3.92E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(NC=N1)CCCl.Cl
(2)InChI: InChI=1S/C5H7ClN2.ClH/c6-2-1-5-3-7-4-8-5;/h3-4H,1-2H2,(H,7,8);1H
(3)InChIKey: VLYMIZRIGGBHSH-UHFFFAOYSA-N