3-(Trifluoromethyl)phenyl isocyanate
3-(Trifluoromethyl)phenyl isocyanate Basic information
- Product Name:
- 3-(Trifluoromethyl)phenyl isocyanate
- Synonyms:
-
- 1-isocyanato-3-(trifluoromethyl)-benzen
- 1-Isocyanato-3-(trifluoromethyl)benzene
- 3-Trifluoromethylphenylcyanate
- alpha,alpha,alpha-Trifluoro-3-tolyl isocyanate
- alpha,alpha,alpha-Trifluoro-meta-tolylisocyanate
- benzene-1-isocyanato-3-(trifluoromethyl)-
- Isocyanic acid m-trifluoromethylphenyl ester
- Isocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl ester
- CAS:
- 329-01-1
- MF:
- C8H4F3NO
- MW:
- 187.12
- EINECS:
- 206-341-3
- Product Categories:
-
- Phenyl isocyanate&Phenyl isothiocyanate
- Mol File:
- 329-01-1.mol
3-(Trifluoromethyl)phenyl isocyanate Chemical Properties
- Melting point:
- -26 °C
- Boiling point:
- 54 °C11 mm Hg(lit.)
- Density
- 1.359 g/mL at 25 °C(lit.)
- vapor pressure
- 2.44 psi ( 20 °C)
- refractive index
- n20/D 1.467(lit.)
- Flash point:
- 138 °F
- storage temp.
- Keep Cold
- solubility
- soluble in Toluene
- form
- clear liquid
- Specific Gravity
- 1.359
- color
- Colorless to Almost colorless
- Water Solubility
- 5.46g/L at 25℃
- Sensitive
- Lachrymatory
- BRN
- 744880
- LogP
- 2.04
- CAS DataBase Reference
- 329-01-1(CAS DataBase Reference)
- NIST Chemistry Reference
- Benzene, 1-isocyanato-3-(trifluoromethyl)-(329-01-1)
- EPA Substance Registry System
- 3-Trifluoromethylphenyl isocyanate (329-01-1)
Safety Information
- Hazard Codes
- Xn,T,T+
- Risk Statements
- 20/22-37/38-42-36/37/38-26-21/22-22
- Safety Statements
- 23-28-45-36/37/39-28A-26-36/37-22-9
- RIDADR
- UN 3384 6.1/PG 1
- WGK Germany
- 2
- RTECS
- NR0200000
- F
- 10
- Hazard Note
- Toxic/Lachrymatory/Keep Cold
- TSCA
- Yes
- HazardClass
- 6.1
- PackingGroup
- II
- HS Code
- 29291090
MSDS
- Language:English Provider:SigmaAldrich
- Language:English Provider:ACROS
- Language:English Provider:ALFA
3-(Trifluoromethyl)phenyl isocyanate Usage And Synthesis
Synthesis
The preparation method is as follows: adding 3-trifluoromethylaniline and chlorobenzene to the reaction flask, stirring, mixing and dissolving it, cooling to 0-10° C., introducing dry hydrogen chloride to make it saturated, and then adding N,N-diisopropylamine. Butyl chloromethylamide, heated to 50°C and kept for 30min, and then introduced phosgene. After a certain amount of phosgene was introduced, the reaction was completed. Then the material is distilled and desolubilized to obtain the finished product.
Chemical Properties
colorless to light yellow liquid
Uses
3-?(Trifluoromethyl)?phenyl Isocyanate is a reagent used in the synthesis of heme-regulated inhibitor as selective activators of the eukaryotic inhibition factor Alpha (eIF2α) phosphorylation arm of the endoplasmic reticulum stress response. Influences cell proliferation, cell differentiaton and adaptation to stress. Also a reagent in the preparation of sorafenib derivatives.
Flammability and Explosibility
Not classified
Safety Profile
Moderately toxic by ingestion, inhalation, and intraperitoneal routes. A lachrymator. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits very toxic fumes of NOx and F-. See also ISOCYANATES and FLUORIDES.
3-(Trifluoromethyl)phenyl isocyanate Preparation Products And Raw materials
Raw materials
3-(Trifluoromethyl)phenyl isocyanateSupplier
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3-(Trifluoromethyl)phenyl isocyanate(329-01-1)Related Product Information
- 4'-(Trifluoromethyl)acetophenone
- PHENYL ACETATE
- Trityl olmesartan
- Phenyl isothiocyanate
- PHENYL VALERATE
- ISOCYANIC ACID
- 2-(Trifluoromethyl)benzoic acid
- 2-(Trifluoromethyl)benzaldehyde
- Benzotrifluoride
- Isocyanatocyclohexane
- Propyl isocyanate
- 3-Fluorobenzotrifluoride
- 3-(Trifluoromethyl)benzaldehyde
- Phenyl butyrate
- 2-Methylbenzotrifluoride
- PHENYL RESIN
- Sorafenib IMpurity
- Phenol, 4-(hydroxyamino)-