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CAS No.: | 36057-44-0 |
---|---|
Name: | 4-METHOXYPYRIDINE-2-CARBONITRILE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H6N2O |
Molecular Weight: | 134.137 |
Synonyms: | Picolinonitrile,4-methoxy- (7CI);4-Methoxy-2-pyridinecarbonitrile;4-methoxypyridine-2-carbonitrilato;2-Pyridinecarbonitrile, 4-methoxy-;2-Cyano-4-Methoxypyridine;4-Methoxypicolinonitrile; |
EINECS: | -0 |
Density: | 1.162 g/cm3 |
Melting Point: | 118-121°C |
Boiling Point: | 257.879 °C at 760 mmHg |
Flash Point: | 109.762 °C |
Hazard Symbols: | Xi |
PSA: | 45.91000 |
LogP: | 0.96188 |
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The 2-Pyridinecarbonitrile,4-methoxy-, with the CAS registry number 36057-44-0, has the systematic name of 4-methoxypyridine-2-carbonitrilato. It belongs to the following product categories: Blocks; Carboxes; Pyridines. And the molecular formula of the chemical is C7H6N2O.
The characteristics of 2-Pyridinecarbonitrile,4-methoxy- are as followings: (1)ACD/LogP: 1.37; (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): 55; (8)ACD/KOC (pH 7.4): 55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.91 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 35.484 cm3; (15)Molar Volume: 115.433 cm3; (16)Polarizability: 14.067×10-24cm3; (17)Surface Tension: 50.153 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 109.762 °C; (20)Enthalpy of Vaporization: 49.546 kJ/mol; (21)Boiling Point: 257.879 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1cc(OC)ccn1
(2)InChI: InChI=1/C7H6N2O/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,1H3
(3)InChIKey: PWGGPHUKKQTXAY-UHFFFAOYAQ