23165-49-3

Basic information

• Product Name: 2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
• Synonyms: 1-CHLORO-2-ISOTHIOCYANATO-4-TRIFLUOROMETHYL-BENZENE;2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate 98%;2-Chloro-5-(trifluoromethyl)phenylisothiocyanate98%;NSC 172980;2-Chloro-5-(trifluoromethyl)phenyl isothiocyate, 98%
• CAS NO: 23165-49-3
• Molecular Formula: C₈H₃ClF₃NS
• Molecular Weight: 237.63
• EINECS: -0
• Product Categories: Phenyl isocyanate&Phenyl isothiocyanate;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 23165-49-3.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 239 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.447 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00978mmHg at 25°C
• Refractive Index: n20/D 1.57(lit.)
• Storage Temp.: Keep Cold
• Sensitive: Stench
• BRN: 2112809
• CAS DataBase Reference: 2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-49-3)
• EPA Substance Registry System: 2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-49-3)

Safety Data

• Hazard Codes: C,T
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 23-26-36/37/39-45-26/37/39
• RIDADR: 2810
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 23165-49-3(Hazardous Substances Data)

Usage

Description

2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate is an organic building block characterized by its pale yellow or pink appearance. It is notable for its enthalpy of vaporization at boiling point (512.15K), which has been reported to be 45.053 kJ/mol.

Uses

Used in Chemical Synthesis:
2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate is used as a synthetic building block for the creation of various organic compounds. Its unique structure and reactivity make it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate is used as a key intermediate in the development of new drugs. Its specific functional groups and properties allow for the creation of molecules with potential therapeutic applications, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate is also utilized in the agrochemical industry for the synthesis of novel pesticides and other crop protection agents. Its incorporation into these compounds can enhance their effectiveness and selectivity, leading to improved agricultural productivity and sustainability.
Used in Research and Development:
In the field of research and development, 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate serves as a valuable compound for exploring new chemical reactions and understanding the underlying mechanisms. Its unique properties make it an interesting subject for academic and industrial research, potentially leading to new discoveries and innovations in various scientific disciplines.

InChI:InChI=1/C8H3ClF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H

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