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121643-45-6

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Basic Information
CAS No.: 121643-45-6
Name: 2 6-DIMETHOXYPYRIDINE-3-CARBONITRILE 9&
Article Data: 1
Molecular Structure:
Molecular Structure of 121643-45-6 (2 6-DIMETHOXYPYRIDINE-3-CARBONITRILE 9&)
Formula: C8H8N2O2
Molecular Weight: 164.164
Synonyms: 2,6-Dimethoxynicotinonitrile;
Density: 1.191 g/cm3
Melting Point: 94-98 °C
Boiling Point: 283.86 °C at 760 mmHg
Flash Point: 125.474 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-37/38-41
Safety: 26-36/39
PSA: 55.14000
LogP: 0.97048
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Specification

The 3-Pyridinecarbonitrile,2,6-dimethoxy-, with the CAS registry number 121643-45-6, is also known as 2,6-Dimethoxynicotinonitrile. This chemical's molecular formula is C8H8N2O2 and molecular weight is 164.1613. What's more, its systematic name is called 2,6-Dimethoxypyridine-3-carbonitrile.

Physical properties about 3-Pyridinecarbonitrile,2,6-dimethoxy- are: (1)ACD/LogP: 2.71; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 27; (6)ACD/BCF (pH 7.4): 27; (7)ACD/KOC (pH 5.5): 364; (8)ACD/KOC (pH 7.4): 364; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.14 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 41.849 cm3; (15)Molar Volume: 137.838 cm3; (16)Polarizability: 16.59×10-24 cm3; (17)Surface Tension: 49.605 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 125.474 °C; (20)Enthalpy of Vaporization: 52.281 kJ/mol; (21)Boiling Point: 283.86 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C; (21)Melting Point: 94-98 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. It is harmful if swallowed and have risk of serious damage to eyes. Therefore, you should wear suitable protective clothing and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(OC)nc1OC
(2) InChI: InChI=1/C8H8N2O2/c1-11-7-4-3-6(5-9)8(10-7)12-2/h3-4H,1-2H3
(3) InChIKey: FBFJMMFGOXVFIO-UHFFFAOYAL