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14649-03-7

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Identification

Name
(S)-(-)-1-Phenylethyl isocyanate
CAS
14649-03-7
Synonyms
ISOCYANIC ACID (S)-(-)-1-PHENYLETHYL ESTER
ISOCYANIC ACID (S)-(-)-ALPHA-METHYLBENZYL ESTER
(S)-(-)-1-PHENYLETHYL ISOCYANATE
(S)-1-PHENYLETHYLISOCYANATE
(S)-(-)-ALPHA-METHYLBENZYL ISOCYANATE
(S)(-)-ALPHA-PHENETHYL ISOCYANATE
(S)-(-)-A-METHYLBENZYL ISOCYANATE
(S) METHYL BENZYLISOCYANATE
IsocyanicAcid(S)-(-)-á-MethylbenzylEster
IsocyanicAcid(S)-(-)-α-MethylbenzylEster
(S)-(-)-ALPHA-METHYLBENZYL ISOCYANATE, 9 9%
Benzene, (1S)-1-isocyanatoethyl-
(s)-(-)-à-methylbenzyl isocyanate
(S)-(-)-1-PHENYLETHYL ISOCYANATE 98+%
(-)-[(S)-1-Isocyanatoethyl]benzene
EINECS(EC#)
238-698-6
Molecular Formula
C9H9NO
MDL Number
MFCD00002036
Molecular Weight
147.17
MOL File
14649-03-7.mol

Chemical Properties

Appearance
Colorless to light yellow liqui
Melting point 
65 °C
Boiling point 
55-56 °C2.5 mm Hg(lit.)

bp 
55-56 °C2.5 mm Hg(lit.)

alpha 
-10 º (NEAT)
density 
1.045 g/mL at 20 °C(lit.)

refractive index 
n20/D 1.5145(lit.)

Fp 
150 °F

storage temp. 
2-8°C

form 
Liquid
color 
Clear colorless to pale yellow
optical activity
[α]20/D 10°, neat
Water Solubility 
Decomposition
Sensitive 
Moisture Sensitive
BRN 
4230972
InChIKey
JJSCUXAFAJEQGB-QMMMGPOBSA-N
CAS DataBase Reference
14649-03-7(CAS DataBase Reference)

Safety Data

Hazard Codes 
Xn,T+
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
R26:Very Toxic by inhalation.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
RIDADR 
UN 2206 6.1/PG 2

WGK Germany 
3

F 
3-10-21
HazardClass 
6.1
PackingGroup 
III
HS Code 
29291090

Hazard Information

Chemical Properties
Colorless to light yellow liqui
Uses
(S)-(-)-1-Phenylethyl isocyanate act by inhibition of cell proliferation and induction of apoptosis. It helps to prevent lung cancer and esophageal cancer. It is a fine chemical intermediate.
General Description
(S)-(-)-α-Methylbenzyl isocyanate is a commonly used chiral derivatizing agent for the resolution of enantiomers.

Purification Methods
Purify the isocyanates by fractional distillation under a vacuum. With ammonia

Spectrum Detail

Spectrum Detail
(S)-(-)-1-Phenylethyl isocyanate(14649-03-7)1HNMR
(S)-(-)-1-Phenylethyl isocyanate(14649-03-7)13CNMR
(S)-(-)-1-Phenylethyl isocyanate(14649-03-7)IR1

Well-known Reagent Company Product Information

Acros Organics
(S)-(-)-alpha-Methylbenzyl isocyanate, 98%(14649-03-7)
Alfa Aesar
(S)-(-)-1-Phenylethyl isocyanate, 98%(14649-03-7)
Sigma Aldrich
14649-03-7(sigmaaldrich)
TCI AMERICA
(S)-(-)-alpha-Methylbenzyl Isocyanate,>95.0%(GC)(14649-03-7)
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