4-Chloro-3-(trifluoromethyl)phenyl isocyanate Chemical Properties

Melting point:

40-42 °C(lit.)

Boiling point:

86-90 °C14 mm Hg(lit.)

Density 

1.4720 (estimate)

vapor pressure 

91Pa at 20℃

Flash point:

211 °F

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

solubility 

soluble in Chloroform, Methanol

form 

Low Melting Solid, Powder or Chunks

color 

White to yellow

Sensitive 

Moisture Sensitive

BRN 

522032

InChI

InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

InChIKey

AHFPRSSHNSGRCU-UHFFFAOYSA-N

SMILES

C1(Cl)=CC=C(N=C=O)C=C1C(F)(F)F

CAS DataBase Reference

327-78-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37-36/37/38-42-20/22

Safety Statements 

7-26-27-37/39-36/37/39-45-23

RIDADR 

UN 2206 6.1/PG 3

WGK Germany 

3

Hazard Note 

Harmful/Moisture Sensitive

HazardClass 

6.1

PackingGroup 

III

HS Code 

29291090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Chloro-3-(trifluoromethyl)phenyl isocyanate Usage And Synthesis

Chemical Properties

White solid or melt

Uses

4-Chloro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of: N-(5′-deoxy-3′-O-tert-butyldimethylsilyl-β-D-thymidin-5′-yl)-N′-(4-chloro-3-trifluoromethylphenyl)-thiourea [1,3-bis(4-chloro-α,α,α-trifluoro-m-tolyl)urea] trans-1-(4-chloro-3-trifluoromethyl-phenyl)-3-(4-hydroxy-cyclohexyl)-urea

Uses

4-Chloro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of:

• N-(5′-deoxy-3′-O-tert-butyldimethylsilyl-β-D-thymidin-5′-yl)-N′-(4-chloro-3-trifluoromethylphenyl)-thiourea
• [1,3-bis(4-chloro-α,α,α-trifluoro-m-tolyl)urea]
• trans-1-(4-chloro-3-trifluoromethyl-phenyl)-3-(4-hydroxy-cyclohexyl)-urea

General Description

4-Chloro-3-(trifluoromethyl)phenyl isocyanate participates in an efficient methodology for the synthesis of 5-methyl-3-aryl-2-thiooxazolidin-4-ones.

Flammability and Explosibility

Non flammable

4-Chloro-3-(trifluoromethyl)phenyl isocyanate(327-78-6)Related Product Information

• Propyl isocyanate
• 4-Chlorobenzotrifluoride
• Benzotrifluoride
• 4-(Chloromethyl)benzoic acid
• 3-Fluorobenzotrifluoride
• Vinylbenzyl chloride
• Phenyl butyrate
• Chlorosulfonyl isocyanate
• Diphenyl chlorophosphate
• Phenyl isothiocyanate
• PHENYL ACETATE
• 2-Methylbenzotrifluoride
• Phenyl chloroformate
• 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine
• PHENYL VALERATE
• Phenylhydrazine
• Trityl olmesartan
• Epichlorohydrin