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642459-09-4

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Basic Information
CAS No.: 642459-09-4
Name: 2-Chloro-6-(1H-pyrazol-1-yl)pyrazine 95%
Article Data: 2
Molecular Structure:
Molecular Structure of 642459-09-4 (2-Chloro-6-(1H-pyrazol-1-yl)pyrazine 95%)
Formula: C7H5ClN4
Molecular Weight: 180.596
Synonyms: 2-Chloro-6-pyrazol-1-ylpyrazine;
Density: 1.475 g/cm3
Boiling Point: 310.211 °C at 760 mmHg
Flash Point: 141.411 °C
Hazard Symbols: IrritantXi
PSA: 43.60000
LogP: 1.31570
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Specification

The Pyrazine, 2-chloro-6-(1H-pyrazol-1-yl)-, with the CAS registry number642459-09-4, is also known as 2-Chloro-6-(pyrazol-1-yl)pyrazine. It belongs to the product categories of Blocks; Imidazoles. This chemical's molecular formula is C7H5ClN4 and molecular weight is 180.5944. What's more, its systematic name is 2-Chloro-6-(1H-pyrazol-1-yl)pyrazine. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, this chemical must be kept in cold storage.

Physical properties about Pyrazine, 2-chloro-6-(1H-pyrazol-1-yl)- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 47.423 cm3; (15)Molar Volume: 122.396 cm3; (16)Polarizability: 18.8×10-24 cm3; (17)Surface Tension: 57.658 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 141.411 °C; (20)Enthalpy of Vaporization: 52.905 kJ/mol; (21)Boiling Point: 310.211 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(cnc1)n2nccc2
(2) InChI: InChI=1/C7H5ClN4/c8-6-4-9-5-7(11-6)12-3-1-2-10-12/h1-5H
(3) InChIKey: WGFZJZXNZJZULL-UHFFFAOYAW