Molecular Structure of 2-Bromo-4-methylbenzonitrile (CAS NO.42872-73-1):

IUPAC: 2-Bromo-4-methylbenzonitrile 
Molecular Formula: C₈H₆BrN
Molecular Weight: 196.04
Product Categories: Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
Melting Point: 51-53^oC
Density: 1.51 g/cm³
Flash Point: 130.9^oC
Boiling Point: 292.9^oC at 760 mmHg
Index of Refraction: 1.59
Molar Volume: 129.2 cm³
Surface Tension: 49.2 dyne/cm
Enthalpy of Vaporization: 53.24 kJ/mol
Vapour Pressure: 0.00178 mmHg at 25^oC
SMILES: N#Cc1ccc(cc1Br)C
InChI: InChI=1/C8H6BrN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3 
InChIKey: JWCMJJIZYDCGTE-UHFFFAOYAR 

Safety Information of 2-Bromo-4-methylbenzonitrile (CAS NO.42872-73-1):
Hazard Codes:Xi,Xn
Risk Statements:20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements:26-36/37/39
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.
RIDADR:3439
HazardClass:IRRITANT, IRRITANT-HARMFUL

 2-Bromo-4-methylbenzonitrile with cas registry number of 42872-73-1 is also known as benzonitrile, 2-bromo-4-methyl- . It would emit toxic vapors when heated to decomposition. This compound is used as a intermediate in the synthesis of phthalocyanine dyes .