Molecular Structure of Benzonitrile,4-(2-bromoacetyl)- (CAS NO.20099-89-2):

IUPAC Name: 4-(2-bromoacetyl)benzonitrile 
Empirical Formula: C₉H₆BrNO
Molecular Weight: 224.054
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 40.86 Å²
Index of Refraction: 1.59
Molar Refractivity: 48.41 cm³
Molar Volume: 143.3 cm³
Surface Tension: 54.3 dyne/cm
Density: 1.56 g/cm³
Flash Point: 160.9 °C
Enthalpy of Vaporization: 58.62 kJ/mol
Melting point: 92-96 °C(lit.)
BRN: 2087648
Boiling Point: 342.4 °C at 760 mmHg
Vapour Pressure: 7.54E-05 mmHg at 25°C
InChI
InChI=1/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
Smiles
N#Cc1ccc(C(=O)CBr)cc1
Product Categories: C8 to C9; Cyanides/Nitriles; Nitrogen Compounds

Hazard Codes: C
Risk Statements: 20/21/22-34
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R34:Causes burns.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2928 6.1/PG 2
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: 6.1
PackingGroup: II

  Benzonitrile,4-(2-bromoacetyl)- , with CAS number of 20099-89-2, can be called Benzonitrile,4-(bromoacetyl)- (9CI) ; Benzonitrile, p-(bromoacetyl)- (6CI,8CI) ; 2-Bromo-4'-cyanoacetophenone ; 2-Bromo-p-cyanoacetophenone ; 4-(2-Bromoacetyl)benzonitrile ; 4-(Bromoacetyl)benzonitrile ; p-Cyano-a-bromoacetophenone ; p-Cyano-w-bromoacetophenone ; a-Bromo-4-cyanoacetophenone . It is an off-white to light yellow crystalline powder.