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CAS No.: | 6863-76-9 |
---|---|
Name: | 3-chloro-1-oxido-pyrazine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C4H3ClN2O |
Molecular Weight: | 130.534 |
Synonyms: | Pyrazine,chloro-, 4-oxide (6CI,7CI,8CI,9CI);2-Chloropyrazine 4-oxide;3-Chloropyrazine1-oxide;3-Chloropyrazine N-oxide;NSC 381064; |
Density: | 1.44 g/cm3 |
Boiling Point: | 373.5 °C at 760 mmHg |
Flash Point: | 179.7 °C |
PSA: | 38.35000 |
LogP: | 1.16350 |
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The CAS register number of Pyrazine, 2-chloro-,4-oxide is 6863-76-9. It also can be called as 2-Chloropyrazine 4-oxide and the IUPAC name about this chemical is 3-chloro-1-oxidopyrazin-1-ium. The molecular formula about this chemical is C4H3ClN2O and the molecular weight is 130.53362.
Physical properties about Pyrazine, 2-chloro-,4-oxide are: (1)ACD/LogP: -2.02; (2)#H bond acceptors: 3; (3)Polar Surface Area: 37 Å2; (4)Index of Refraction: 1.601; (5)Molar Refractivity: 30.88 cm3; (6)Molar Volume: 90.1 cm3; (7)Polarizability: 12.24x10-24cm3; (8)Surface Tension: 52.2 dyne/cm; (9)Density: 1.44 g/cm3; (10)Flash Point: 179.7 °C; (11)Enthalpy of Vaporization: 59.64 kJ/mol; (12)Boiling Point: 373.5 °C at 760 mmHg; (13)Vapour Pressure: 1.91E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]1ccnc(Cl)c1
(2)InChI: InChI=1/C4H3ClN2O/c5-4-3-7(8)2-1-6-4/h1-3H
(3)InChIKey: ICTJTHXSPXEBFR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H3ClN2O/c5-4-3-7(8)2-1-6-4/h1-3H
(5)Std. InChIKey: ICTJTHXSPXEBFR-UHFFFAOYSA-N