4-chloro-3-trifluoromethylphenyl isothiocyanate

4-chloro-3-trifluoromethylphenyl isothiocyanate - Names and Identifiers

Name	4-chloro-3-trifluoromethylphenyl isothiocyanate
Synonyms	4-CHLORO-3-TRIFLUOROMETHYLPHENYL ISOTHIO 4-chloro-3-trifluoromethylphenyl isothiocyanate 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 1-CHLORO-4-ISOTHIOCYANATO-2-TRIFLUOROMETHYL-BENZENE Benzene, 1-chloro-4-isothiocyanato-2-(trifluoromethyl)- 1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene, 2-Chloro-5-isothiocyanatobenzotrifluoride
CAS	23163-86-2
EINECS	624-319-5

4-chloro-3-trifluoromethylphenyl isothiocyanate - Physico-chemical Properties

Molecular Formula	C8H3ClF3NS
Molar Mass	237.63
Density	1.47g/mLat 25°C(lit.)
Melting Point	34 °C
Boling Point	248-251°C(lit.)
Flash Point	248-251°C
Specific Gravity	1.440
BRN	787371
Storage Condition	Keep Cold
Sensitive	Stench
Refractive Index	n20/D 1.5905(lit.)

4-chloro-3-trifluoromethylphenyl isothiocyanate - Risk and Safety

Risk Codes	34 - Causes burns
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. 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	UN 3265 8/PG 2
WGK Germany	3
HS Code	29309090
Hazard Note	Harmful/Stench
Hazard Class	6.1
Packing Group	III

4-chloro-3-trifluoromethylphenyl isothiocyanate - Introduction

isothiocyanate is an organic compound with the chemical formula CF3C6H3ClNCS. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: Colorless or light yellow liquid
-Density: 1.53g/cm3
-Boiling Point: 132-133 ° C
-Melting point: 50-52 ° C
-Solubility: Soluble in organic solvents such as ethanol, ether and dichloromethane, insoluble in water

Use:
-As a chemical reagent: used in the thiolation reaction in organic synthesis reactions, the isothiocyanate functional group on the benzene ring can be introduced.
-As an intermediate: The compound can be used to synthesize other organic compounds, such as drugs, pesticides, etc.

Method:
-It can be prepared by the reaction of 4-chloro-3-trifluoromethylbenzene with ethyl thioisocyanate. The reaction conditions are that 4-chloro-3-trifluoromethylbenzene and ethyl thioisocyanate are reacted in ether or methylene chloride solution in a dry environment, and after a period of time, the product is obtained.

Safety Information:
-The compound is irritating to the skin and eyes. Pay attention to wearing protective gloves and goggles during operation.
-Avoid inhaling its vapor or dust and operate in a well-ventilated place.
-Avoid direct sunlight when storing, keep it sealed, away from heat sources and open flames.
-In case of accidental inhalation or exposure to this compound, seek medical attention immediately.

Last Update：2024-04-09 02:00:44