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
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 | n |
| 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. |
Computed Descriptors for 3-(Trifluoromethyl)phenyl isocyanate
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