149552-52-3

149552-52-3 - Names and Identifiers

Name	(S)-1-(4-Bromophenyl)ethyl isocyanate
Synonyms	1-bromo-4-(1-isocyanatoethyl)benzene (S)-1-(4-Bromophenyl)ethyl isocyanate (S)-(-)-1-(4-Bromophenyl)Ethyl Isocyanate (S)-(-)-1-(4-BROMOPHENYL)ETHYL ISOCYANATE 1-bromo-4-[(1S)-1-isocyanatoethyl]benzene Benzene, 1-bromo-4-[(1S)-1-isocyanatoethyl]- (S)-1-bromo-4-(1-isocyanatoethyl)benzene(WXG02596)
CAS	149552-52-3
EINECS	677-372-1
InChI	InChI=1/C9H8BrNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1

149552-52-3 - Physico-chemical Properties

Molecular Formula	C9H8BrNO
Molar Mass	226.07
Density	1.39g/cm³
Melting Point	30-32°C
Boling Point	145-147°C 7mm
Flash Point	145-147°C/7mm
Vapor Presure	0.00483mmHg at 25°C
Storage Condition	2-8℃
Sensitive	Moisture Sensitive
Refractive Index	1.562
MDL	MFCD05664122

149552-52-3 - Risk and Safety

Risk Codes	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 Description	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.)
UN IDs	2206
Hazard Class	6.1
Packing Group	III

149552-52-3 - Introduction

(S)-1-(4-Bromophenyl)ethyl isocyanate, also known as (S)-(-)-4-bromophenethyl isocyanate, is an organic compound. The following is a description of the nature, use, preparation and safety information of the substance:

Nature:
(S)-1-(4-Bromophenyl)ethyl isocyanate is a colorless to pale yellow liquid. Its molecular formula is C10H8BrNO2 and its molecular weight is 250.08g/mol. It is soluble in ethers and organic solvents at room temperature and pressure, and insoluble in water. It has a melting point of -10°C and a boiling point of 256-257°C.

Use:
(S)-1-(4-Bromophenyl)ethyl isocyanate can be used as a chiral reagent in organic synthesis, especially in the field of drug synthesis. It can be used as an intermediate in the preparation of chiral drugs and other organic compounds. Its chiral properties make it have special selectivity and catalytic activity in some chemical syntheses.

Method:
The preparation of (S)-1-(4-Bromophenyl)ethyl isocyanate is usually obtained by optical separation. One common method is to react the corresponding chiral alcohol with a Bromo to give the corresponding ether compound. Then (S)-1-(4-Bromophenyl)ethyl isocyyanate was prepared by fluorination reaction.

Safety Information:
(S)-1-(4-Bromophenyl)ethyl isocyyanate is a harmful substance that is irritating and corrosive. Direct contact with skin and eyes should be avoided. Wear appropriate protective equipment such as protective gloves, safety glasses and protective clothing during operation. It should be carried out in a well-ventilated place and avoid inhaling its vapors.

Last Update：2024-04-09 02:00:42