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42885-14-3

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Basic Information
CAS No.: 42885-14-3
Name: 3-CYANO-5-METHYLPYRIDINE
Article Data: 12
Molecular Structure:
Molecular Structure of 42885-14-3 (3-CYANO-5-METHYLPYRIDINE)
Formula: C7H6N2
Molecular Weight: 118.138
Synonyms: Nicotinonitrile,5-methyl- (6CI,7CI);3-Cyano-5-methylpyridine;5-Cyano-3-methylpyridine;5-Methyl-3-pyridinecarbonitrile;
EINECS: 255-988-8
Density: 1.08 g/cm3
Melting Point: 83-87 °C
Boiling Point: 237.2 °C at 760 mmHg
Flash Point: 93.7 °C
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 22-37/38-41-36/37/38
Safety: 26-36/39
PSA: 36.68000
LogP: 1.26168
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Chemistry

IUPAC Name: 5-methylpyridine-3-carbonitrile 
Empirical Formula: C7H6N2
Molecular Weight: 118.1359g/mol
EINECS: 255-988-8 
Structure of 3-Pyridinecarbonitrile,5-methyl- (CAS NO.42885-14-3):

Index of Refraction: 1.531
Molar Refractivity: 33.74 cm3
Molar Volume: 108.9 cm3
 Polarizability: 13.37×10-24cm3
Surface Tension: 47.9 dyne/cm
Density: 1.08 g/cm3
Flash Point: 93.7 °C
Enthalpy of Vaporization: 47.41 kJ/mol 
Melting Point: 83-87 °C
Boiling Point: 237.2 °C at 760 mmHg
Vapour Pressure: 0.0453 mmHg at 25°C 
Canonical SMILES: CC1=CN=CC(=C1)C#N
InChI: InChI=1S/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3
InChIKey: VDWQWOXVBXURMT-UHFFFAOYSA-N

Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
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: 26-36/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S39:Wear eye / face protection.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III

Specification

  3-Pyridinecarbonitrile,5-methyl- , its cas register number is 42885-14-3. It also can be called 5-Methylnicotinonitrile ; 5-Methylpyridine-3-carbonitrile ; 3-Cyano-5-methylpyridine . 3-Pyridinecarbonitrile,5-methyl- (CAS NO.42885-14-3) is irritating to eyes, respiratory system and skin and it is harmful if swallowed.