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CAS No.: | 313339-92-3 |
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Name: | 3,5-Dichloropyrazine-2-carbonitrile |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5HCl2N3 |
Molecular Weight: | 173.989 |
Synonyms: | 2-pyrazinecarbonitrile, 3,5-dichloro-;LogP |
Density: | 1.607 g/cm3 |
Boiling Point: | 276.627 °C at 760 mmHg |
Flash Point: | 121.1 °C |
PSA: | 49.57000 |
LogP: | 1.65508 |
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The 3,5-Dichloropyrazine-2-carbonitrile is an organic compound with the formula C5HCl2N3. The systematic name of this chemical is 3,5-Dichloropyrazine-2-carbonitrile. With the CAS registry number 313339-92-3, it is also named as 2-Pyrazinecarbonitrile, 3,5-dichloro-. Besides, its molecular weight is 173.99.
The physical properties of 3,5-Dichloropyrazine-2-carbonitrile are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.509; (5)ACD/BCF (pH 7.4): 9.509; (6)ACD/KOC (pH 5.5): 174.491; (7)ACD/KOC (pH 7.4): 174.491; (8)#H bond acceptors: 3; (9) Polar Surface Area: 49.57 Å2; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 36.572 cm3; (12)Molar Volume: 108.252 cm3; (13)Polarizability: 14.498×10-24 cm3; (14)Surface Tension: 74.836 dyne/cm; (15)Density: 1.607 g/cm3; (16)Flash Point: 121.1 °C; (17)Enthalpy of Vaporization: 51.515 kJ/mol; (18)Boiling Point: 276.627 °C at 760 mmHg; (19)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc(c(n1)C#N)Cl)Cl
(2)InChI: InChI=1/C5HCl2N3/c6-4-2-9-3(1-8)5(7)10-4/h2H
(3)InChIKey: SDTCGHLDTSGIRR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5HCl2N3/c6-4-2-9-3(1-8)5(7)10-4/h2H
(5)Std. InChIKey: SDTCGHLDTSGIRR-UHFFFAOYSA-N