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| CAS No.: | 63450-95-3 |
|---|---|
| Name: | 2-CHLORO-3-ETHYLPYRAZINE |
| Molecular Structure: | |
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| Formula: | C6H7ClN2 |
| Molecular Weight: | 142.5862 |
| Synonyms: | 2-chloro-3-ethyl-pyrazine;3-ethyl-2-chloropyrazine;2-chloro-3-ethyl-Pyrazine; |
| Density: | 1.181 g/cm3 |
| Boiling Point: | 184.6 °C at 760 mmHg |
| Flash Point: | 81.7 °C |
| PSA: | 25.78000 |
| LogP: | 1.69240 |
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Specification
The 2-Chloro-3-ethylpyrazine, with the CAS registry number 63450-95-3, is also called 3-ethyl-2-chloropyrazine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H7ClN2.
The characteristics of 2-Chloro-3-ethylpyrazine are as followings: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.23; (6)ACD/BCF (pH 7.4): 10.23; (7)ACD/KOC (pH 5.5): 183.89; (8)ACD/KOC (pH 7.4): 183.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 36.87 cm3; (15)Molar Volume: 120.6 cm3; (16)Polarizability: 14.62×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 81.7 °C; (20)Enthalpy of Vaporization: 40.36 kJ/mol; (21)Boiling Point: 184.6 °C at 760 mmHg; (22)Vapour Pressure: 0.995 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nccnc1CC
(2)InChI: InChI=1/C6H7ClN2/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3
(3)InChIKey: JDBIYZFYKSYXPK-UHFFFAOYAA