(S)-(-)-α-Methylbenzyl Isocyanate

(S)-(-)-α-Methylbenzyl Isocyanate - Names and Identifiers

Name	S-(-)-α-methylbenzyl isocyanate
Synonyms	(1-isocyanatoethyl)benzene (S) METHYL BENZYLISOCYANATE S-(-)-α-methylbenzyl isocyanate [(1S)-1-Isocyanatoethyl]benzene [(1S)-1-isocyanatoethyl]benzene (S)-(-)-1-Phenylethyl isocyanate (S)-(-)-α-Methylbenzyl Isocyanate S-(-)-alpha-Methylbenzyl isocyanate (S)-(-)-α-Methylbenzyl isocyanate, for chiral derivatization Tris(pentafluorophenyl)borane(S)-(-)-1-Phenylethylisocyanate Isocyanic Acid (S)-(-)-alpha-Methylbenzyl EsterIsocyanic Acid (S)-(-)-1-Phenylethyl Ester(S)-(-)-1-Phenylethyl Isocyanate
CAS	14649-03-7
EINECS	238-698-6
InChI	InChI=1/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
InChIKey	JJSCUXAFAJEQGB-QMMMGPOBSA-N

(S)-(-)-α-Methylbenzyl Isocyanate - Physico-chemical Properties

Molecular Formula	C9H9NO
Molar Mass	147.17
Density	1.045g/mLat 20°C(lit.)
Melting Point	65 °C
Boling Point	55-56°C2.5mm Hg(lit.)
Specific Rotation(α)	-10 º (NEAT)
Flash Point	150°F
Water Solubility	Decomposition
Vapor Presure	0.268mmHg at 25°C
Appearance	Liquid
Color	Clear colorless to pale yellow
BRN	4230972
Storage Condition	2-8°C
Sensitive	Moisture Sensitive
Refractive Index	n20/D 1.5145(lit.)
MDL	MFCD00002036

(S)-(-)-α-Methylbenzyl Isocyanate - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R42 - May cause sensitization by inhalation R26 - Very Toxic by inhalation R23 - Toxic by inhalation
Safety Description	S23 - Do not breathe vapour. 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 the label whenever possible.) S24/25 - Avoid contact with skin and eyes.
UN IDs	UN 2206 6.1/PG 2
WGK Germany	3
FLUKA BRAND F CODES	3-10-21
HS Code	29291090
Hazard Class	6.1
Packing Group	III

(S)-(-)-α-Methylbenzyl Isocyanate - Introduction

S-(-)-α-methylbenzyl isocyyanate is an organic compound with the chemical formula C9H9NO2. It is a colorless liquid, volatile at room temperature, and has a pungent odor. The following is a detailed description of its nature, use, preparation and safety information:

Nature:
-Appearance: colorless liquid
-Density: 1.03g/cm³
-Boiling point: 134-135 ° C
-Flash Point: 27 ° C
-Refractive Index: 1.472

Use:
S-(-)-α-methylbenzyl isocyanate is mainly used in organic synthesis reactions as a carrier and catalyst. It can be used in the preparation of pharmaceuticals, pesticides, dyes and other chemicals, such as the synthesis of dehydrated colloidal phosphates and deaminated proteins.

Method:
S-(-)-α-methylbenzyl isocyanate is prepared as follows:
1. At low temperature, 1-phenylethylamine reacts with trichloroaminomethane to generate 1-chloroethyl isocyanate.
2. The (S) stereoisomer in the structure can be obtained by using a chiral solvent or a chiral ligand in the reaction.

Safety Information:
- S-(-)-α-methylbenzyl isocyanate has a pungent odor and irritant effect, and care should be taken to avoid contact with skin, eyes and respiratory tract.
-When using and storing, keep away from fire and heat sources, and keep a well-ventilated place.
-Avoid reactions with strong oxidants, acids, bases and other reactive substances.
-Wear protective gloves, goggles and respiratory protection when using.
-Correct laboratory practices and safety practices should be followed when handling this compound.

Last Update：2024-04-09 02:00:42