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Cas Database |
| Name |
5-(2-Chloroethyl)-1H-imidazole hydrochloride |
EINECS | N/A |
| CAS No. | 6429-10-3 | Density | N/A |
| PSA | 28.68000 | LogP | 1.99300 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H8Cl2N2 | Boiling Point | 347 °C at 760 mmHg |
| Molecular Weight | 167.038 | Flash Point | 163.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 4 |
5-(2-Chloroethyl)-1H-imidazole hydrochloride 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
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