6-Methoxypyrazine-2-carbonitrile supplier

Name
6-Methoxy-pyrazine-2-carbonitrile
EINECS
CAS No. 136309-07-4
Article Data1
CAS DataBase
Density 1.247 g/cm³
Solubility
Melting Point
Formula C₆H₅N₃O
Boiling Point 228.76 °C at 760 mmHg
Molecular Weight 135.12
Flash Point 92.151 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methoxy-6-cyanopyrazine;
PSA 58.80000
LogP 0.35688

6-Methoxypyrazine-2-carbonitrile Specification

The 6-Methoxy-pyrazine-2-carbonitrile, with the CAS registry number 136309-07-4, is also known as 2-Methoxy-6-cyanopyrazine. This chemical's molecular formula is C₆H₅N₃O and molecular weight is 135.12. What's more, its systematic name is 6-Methoxypyrazine-2-carbonitrile.

Physical properties of 6-Methoxy-pyrazine-2-carbonitrile are: (1)ACD/LogP: 1.31; (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): 61; (8)ACD/KOC (pH 7.4): 61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.8 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 33.282 cm³; (15)Molar Volume: 108.314 cm³; (16)Polarizability: 13.194×10^-24cm³; (17)Surface Tension: 61.028 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 92.151 °C; (20)Enthalpy of Vaporization: 46.536 kJ/mol; (21)Boiling Point: 228.76 °C at 760 mmHg; (22)Vapour Pressure: 0.072 mmHg at 25°C.

Preparation: this chemical can be prepared by methoxy-pyrazine 4-oxide and trimethyl-silanecarbonitrile by heating. This reaction will need reagent triethylamine and solvent acetonitrile with the reaction time of 6 hours. The yield is about 19%.

6-Methoxy-pyrazine-2-carbonitrile can be prepared by methoxy-pyrazine 4-oxide and trimethyl-silanecarbonitrile by heating

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cncc(C#N)n1
(2)InChI: InChI=1S/C6H5N3O/c1-10-6-4-8-3-5(2-7)9-6/h3-4H,1H3
(3)InChIKey: HJMUXUUZHUCKFP-UHFFFAOYSA-N

Product Name

6-Methoxy-pyrazine-2-carbonitrile

6-Methoxypyrazine-2-carbonitrile Specification

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