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67714-53-8

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Basic Information
CAS No.: 67714-53-8
Name: 3-CHLORO-2,5-DIETHYL PYRAZINE
Molecular Structure:
Molecular Structure of 67714-53-8 (3-CHLORO-2,5-DIETHYL PYRAZINE)
Formula: C8H11ClN2
Molecular Weight: 170.642
Synonyms: 2-Chloro-3,6-diethyl-1,4-pyrazine;2-Chloro-3,6-diethylpyrazine;3-Chloro-2,5-diethylpyrazine;NSC 40821;
Density: 1.111 g/cm3
Boiling Point: 215.1 °C a t760 mmHg
Flash Point: 104.2 °C
PSA: 25.78000
LogP: 2.25480
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Specification

The Pyrazine,3-chloro-2,5-diethyl-, with the CAS registry number 67714-53-8, is also known as 2-Chloro-3,6-diethyl-1,4-pyrazine. This chemical's molecular formula is C8H11ClN2 and formula weight is 170.64. What's more, its IUPAC name is 3-chloro-2,5-diethylpyrazine.

Physical properties of Pyrazine,3-chloro-2,5-diethyl- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 46.42 cm3; (9)Molar Volume: 153.4 cm3; (10)Surface Tension: 39.4 dyne/cm; (11)Density: 1.111 g/cm3; (12)Flash Point: 104.2 °C; (13)Enthalpy of Vaporization: 43.31 kJ/mol; (14)Boiling Point: 215.1 °C at 760 mmHg; (15)Vapour Pressure: 0.22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CN=C(C(=N1)Cl)CC
(2)InChI: InChI=1S/C8H11ClN2/c1-3-6-5-10-7(4-2)8(9)11-6/h5H,3-4H2,1-2H3
(3)InChIKey: OHKRYVAKYCCYNX-UHFFFAOYSA-N