-
Name
PYRAZINE N-OXIDE
- EINECS
- CAS No. 2423-65-6
- Article Data23
- CAS DataBase
- Density 1.19 g/cm3
- Solubility
- Melting Point 112-116 °C
- Formula C4H4N2O
- Boiling Point 337.8 °C at 760 mmHg
- Molecular Weight 96.0886
- Flash Point 158.1 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 11-22-37/38-41
-
Molecular Structure
-
Hazard Symbols
F,
Xn
- Synonyms Pyrazinemonooxide;Pyrazine oxide;Pyrazine N-monoxide;Pyrazine mono-N-oxide;Pyrazine N-oxide;NSC 341054;
- PSA 38.35000
- LogP 0.51010
Pyrazine, 1-oxide Specification
This chemical is called Pyrazine, 1-oxide, and its CAS registry number is 2423-65-6. With the molecular formula of C4H4N2O, its molecular weight is 96.09.
Other characteristics of the Pyrazine, 1-oxide can be summarised as followings: (1)ACD/LogP: -2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.69; (4)ACD/LogD (pH 7.4): -2.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 26.28 cm3; (15)Molar Volume: 80.7 cm3; (16)Polarizability: 10.42×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 158.1 °C; (20)Enthalpy of Vaporization: 55.81 kJ/mol; (21)Boiling Point: 337.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000201 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][n+]1ccncc1
2.InChI: InChI=1/C4H4N2O/c7-6-3-1-5-2-4-6/h1-4H
3.InChIKey: RUIZBQQGWNBRFH-UHFFFAOYAX
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