4-Chloro-3-(trifluoromethyl)phenyl isocyanate

4-Chloro-3-(trifluoromethyl)phenyl isocyanate
  • CAS No.:327-78-6

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  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Other grades of this product :
4-Chloro-3-(trifluoromethyl)phenyl isocyanate Basic information
Product Name:4-Chloro-3-(trifluoromethyl)phenyl isocyanate
Synonyms:4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE;3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE;4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 98%;1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene;4-Chloro-α,α,α-trifluoro-m-tolyl isocyanate;4-Chloro-3-(trifluoromethyl)phenyl isocyanate,98%;4-Chloro-3-(trifluoroMethyl)phenyl isocyanate, 98% 5GR;Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-
CAS:327-78-6
MF:C8H3ClF3NO
MW:221.56
EINECS:608-783-6;455-070-9
Product Categories:Phenyl isocyanate&Phenyl isothiocyanate;Isocyanates;Nitrogen Compounds;Organic Building Blocks
Mol File:327-78-6.mol
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℃
Fp 211 °F
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
form Low Melting Solid, Powder or Chunks
color White to yellow
Sensitive Moisture Sensitive
BRN 522032
InChIKeyAHFPRSSHNSGRCU-UHFFFAOYSA-N
CAS DataBase Reference327-78-6(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 Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
4-Chloro-3-(trifluoromethyl)phenyl isocyanate Usage And Synthesis
Chemical PropertiesWhite solid or melt
Uses4-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
Uses4-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 Description4-Chloro-3-(trifluoromethyl)phenyl isocyanate participates in an efficient methodology for the synthesis of 5-methyl-3-aryl-2-thiooxazolidin-4-ones.
Flammability and ExplosibilityNonflammable
4-Chloro-3-(trifluoromethyl)phenyl isocyanate Preparation Products And Raw materials
Raw materials2-Chloro-5-nitrobenzotrifluoride-->4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine-->2-Chlorobenzotrifluoride
Preparation ProductsRegorafenib iMpurity

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