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149552-52-3

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Basic Information
CAS No.: 149552-52-3
Name: (S)-(-)-1-(4-BROMOPHENYL)ETHYL ISOCYANATE
Article Data: 11
Molecular Structure:
Molecular Structure of 149552-52-3 ((S)-(-)-1-(4-BROMOPHENYL)ETHYL ISOCYANATE)
Formula: C9H8 Br N O
Molecular Weight: 226.073
Synonyms: Benzene,1-bromo-4-(1-isocyanatoethyl)-, (S)-
Density: 1.39g/cm3
Melting Point: 30-32°C
Boiling Point: 145-147°C 7mm
Flash Point: 120.9°C
Hazard Symbols: R20/22:Harmful by inhalation and if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.; R42:Ma
Risk Codes: 20/22-36/37/38-42
Safety:
Risk Statements 20/22-36/37/38-42
Safety Statements 23-26-36/37/39-45
RIDADR 2206
HazardClass 6.1
PackingGroup III
PSA: 29.43000
LogP: 2.84590
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Chemistry

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

Safety Profile

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

Specification

   (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]-