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HomeProduct name list4-Chloro-3-(trifluoromethyl)phenyl isocyanate

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

  • CAS NO.:327-78-6
  • Empirical Formula: C8H3ClF3NO
  • Molecular Weight: 221.56
  • MDL number: MFCD00013874
  • EINECS: 608-783-6;455-070-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-28 16:48:35
4-Chloro-3-(trifluoromethyl)phenyl isocyanate Structural

What is 4-Chloro-3-(trifluoromethyl)phenyl isocyanate?

Chemical properties

White solid or melt

The Uses of 4-Chloro-3-(trifluoromethyl)phenyl isocyanate

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

The Uses of 4-Chloro-3-(trifluoromethyl)phenyl isocyanate

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

What are the applications of Application

4-Chloro-3-(trifluoromethyl)phenyl isocyanate is used to synthesize N-(5′-deoxy-3′-O-tert-butyldimethylsilyl-β-D-thymidin-5′-yl)-N′-(4-chloro-3-trifluoromethylphenyl)-thiourea

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

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

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
CAS DataBase Reference 327-78-6(CAS DataBase Reference)

Safety information for 4-Chloro-3-(trifluoromethyl)phenyl isocyanate

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Chloro-3-(trifluoromethyl)phenyl isocyanate

InChIKey AHFPRSSHNSGRCU-UHFFFAOYSA-N
SMILES C1(Cl)=CC=C(N=C=O)C=C1C(F)(F)F

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