3-(Trifluoromethyl)phenyl isocyanate

Synonym(s):α,α,α-Trifluoro-m-tolyl isocyanate

CAS NO.：329-01-1
Empirical Formula: C8H4F3NO
Molecular Weight: 187.12
MDL number: MFCD00002020
EINECS: 206-341-3
SAFETY DATA SHEET (SDS)
Update Date: 2023-04-23 13:52:06

3-(Trifluoromethyl)phenyl isocyanate Structural

What is 3-(Trifluoromethyl)phenyl isocyanate?

Chemical properties

colorless to light yellow liquid

The Uses of 3-(Trifluoromethyl)phenyl isocyanate

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.

Properties of 3-(Trifluoromethyl)phenyl isocyanate

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
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 for 3-(Trifluoromethyl)phenyl isocyanate

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 Environment GHS09
GHS Hazard Statements	H226:Flammable liquids H302:Acute toxicity,oral H311:Acute toxicity,dermal H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.