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Basic Information
CAS No.: 57775-08-3
Name: 3-(4-BROMOPHENYL)PROPIONITRILE
Molecular Structure:
Molecular Structure of 57775-08-3 (3-(4-BROMOPHENYL)PROPIONITRILE)
Formula: C9H8BrN
Molecular Weight: 210.073
Synonyms: 3-(4-Bromophenyl)propionitrile;
Density: 1.416g/cm3
Boiling Point: 326.9°Cat760mmHg
Flash Point: 151.5°C
Solubility: 64.62 mg/L at 25 °C
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
Transport Information: 3276
PSA: 23.79000
LogP: 2.90528
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Chemistry

Molecular Structure of 3-(4-Bromophenyl)propionitrile (CAS No.57775-08-3):
 
Molecular Formula: C9H8BrN
Molecular Weight: 210.07
IUPAC Name: 3-(4-Bromophenyl)propanenitrile
CAS No: 57775-08-3
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 23.79 Å2
Index of Refraction: 1.561
Molar Refractivity: 48.03 cm3
Molar Volume: 148.3 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.416 g/cm3
Flash Point: 151.5 °C
Enthalpy of Vaporization: 56.91 kJ/mol
Boiling Point: 326.9 °C at 760 mmHg
Vapour Pressure: 0.00021 mmHg at 25°C
Water Solubility: 64.62 mg/L at 25 °C
Canonical SMILES: C1=CC(=CC=C1CCC#N)Br
InChI: InChI=1S/C9H8BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
InChIKey: QAWLKTDBUQOFEF-UHFFFAOYSA-N

Safety Profile

Safety Information of 3-(4-Bromophenyl)propionitrile (CAS No.57775-08-3):
Hazard Codes: IrritantXi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
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: 3276
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL

Specification

  3-(4-Bromophenyl)propionitrile (CAS No.57775-08-3), it also can be called Benzenepropanenitrile, 4-bromo- ; 3-(4-Bromo-phenyl)-propionitrile .