Molecular Structure of 6-Chloropyridine-2-carbonitrile (CAS NO.33252-29-8):
IUPAC Name: 6-chloropyridine-2-carbonitrile
Empirical Formula: C6H3ClN2
Molecular Weight: 138.5544
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 36.68Å2
Index of Refraction: 1.565
Molar Refractivity: 33.94 cm3
Molar Volume: 104.1 cm3
Surface Tension: 56.6 dyne/cm
Density: 1.33 g/cm3
Flash Point: 102.1 °C
Enthalpy of Vaporization: 48.24 kJ/mol
Boiling Point: 245.3 °C at 760 mmHg
Vapour Pressure: 0.029 mmHg at 25°C
Melting point: 85-89 ºC
EINECS: 251-429-7
Product Categories: Pyridine series; Pyridines; Halides; Pyridine
InChI
InChI=1/C6H3ClN2/c7-6-3-1-2-5(4-8)9-6/h1-3H
Smiles
n1c(Cl)cccc1C#N
Hazard Codes: Xn,T,Xi
Risk Statements: 22-37/38-41-36/37/38
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37:Wear suitable gloves.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III
6-Chloropyridine-2-carbonitrile , with CAS number of 33252-29-8, can be called 2-pyridinecarbonitrile, 6-chloro- ; 2-chloro-6-cyanopyridine . It is an off-white cryst.
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