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CAS No.: | 20099-89-2 |
---|---|
Name: | 4-CYANOPHENACYL BROMIDE |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C9H6BrNO |
Molecular Weight: | 224.057 |
Synonyms: | Benzonitrile,4-(bromoacetyl)- (9CI);Benzonitrile, p-(bromoacetyl)- (6CI,8CI);2-Bromo-p-cyanoacetophenone;4-(2-Bromoacetyl)benzonitrile;4-(Bromoacetyl)benzonitrile;4-Cyanophenacyl bromide;p-Cyano-a-bromoacetophenone;p-Cyano-w-bromoacetophenone;p-Cyanophenacyl bromide;a-Bromo-4-cyanoacetophenone; |
EINECS: | -0 |
Density: | 1.56 g/cm3 |
Melting Point: | 92-96 °C(lit.) |
Boiling Point: | 342.4 °C at 760 mmHg |
Flash Point: | 160.9 °C |
Appearance: | off-white to light yellow crystalline powder |
Hazard Symbols: | C |
Risk Codes: | 20/21/22-34 |
Safety: | 26-27-36/37/39-45 |
Transport Information: | UN 2928 6.1/PG 2 |
PSA: | 40.86000 |
LogP: | 2.13588 |
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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.