ÅMolecular Structure of (S)-(-)-1-(4-Bromophenyl)ethyl isocyanate (CAS No.149552-52-3):
 
Molecular Formula: C₉H₈BrNO 
Molecular Weight: 226.0699
CAS No: 149552-52-3
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 29.43 Å²
Index of Refraction: 1.562
Molar Refractivity: 52.74 cm³
Molar Volume: 162.5 cm³
Surface Tension: 39.8 dyne/cm
Density: 1.39 g/cm³
Flash Point: 120.9 °C
Enthalpy of Vaporization: 51.48 kJ/mol
Boiling Point: 276.3 °C at 760 mmHg
Vapour Pressure: 0.00483 mmHg at 25°C
InChI: InChI=1/C₉H₈BrNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1
InChIKey: AKVAGWOVWQDTAF-ZETCQYMHBY
Std. InChI: InChI=1S/C₉H₈BrNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1
Std. InChIKey: AKVAGWOVWQDTAF-ZETCQYMHSA-N

Risk Statements: 20/22-36/37/38-42 
R20/22:Harmful by inhalation and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R42:May cause sensitization by inhalation.
Safety Statements: 23-26-36/37/39-45
S23:Do not breathe vapour. 
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. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2206
HazardClass: 6.1
PackingGroup: III

   (S)-(-)-1-(4-Bromophenyl)ethyl isocyanate (CAS No.149552-52-3), its synonyms are 1-Bromo-4-[(1S)-1-isocyanatoethyl]benzene ; Benzene, 1-bromo-4-[(1S)-1-isocyanatoethyl]-