3-(Trifluoromethyl)phenyl isocyanate
Synthesis- Product Name
- 3-(Trifluoromethyl)phenyl isocyanate
- CAS No.
- 329-01-1
- Chemical Name
- 3-(Trifluoromethyl)phenyl isocyanate
- Synonyms
- TIC;JAP3;MOP3;BMAL1;PASD3;Sorafenib Impurity 17;isocyanobenzotrifluoride;alpha,alpha,alpha-Trifluo;Sorafenib Impurity 17 CRS;Isocyanatobenzotrifluoride
- CBNumber
- CB4733591
- Molecular Formula
- C8H4F3NO
- Formula Weight
- 187.12
- MOL File
- 329-01-1.mol
3-(Trifluoromethyl)phenyl isocyanate Property
- 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
- Henry's Law Constant
- 4.8×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 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
- 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 2285 (ISOCYANATOBENZO- TRIFLUORIDES)
- WGK Germany
- 2
- RTECS
- NR0200000
- F
- 10
- Hazard Note
- Toxic/Lachrymatory/Keep Cold
- TSCA
- TSCA listed
- HazardClass
- 6.1
- PackingGroup
- II
- HS Code
- 29291090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H226Flammable liquid and vapour
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H330Fatal if inhaled
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H411Toxic to aquatic life with long lasting effects
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P284Wear respiratory protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P342+P311IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370+P378In case of fire: Use … for extinction.
P391Collect spillage. Hazardous to the aquatic environment
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P403+P235Store in a well-ventilated place. Keep cool.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 159387
- Product name
- 3-(Trifluoromethyl)phenyl isocyanate
- Purity
- 97%
- Packaging
- 5g
- Price
- $53.1
- Updated
- 2026/04/30
- Product number
- I0340
- Product name
- 3-(Trifluoromethyl)phenyl Isocyanate
- Purity
- >96.0%(GC)
- Packaging
- 5g
- Price
- $47
- Updated
- 2026/04/30
- Product number
- I0340
- Product name
- 3-(Trifluoromethyl)phenyl Isocyanate
- Purity
- >96.0%(GC)
- Packaging
- 25g
- Price
- $136
- Updated
- 2026/04/30
- Product number
- T796555
- Product name
- 3-(Trifluoromethyl)phenyl Isocyanate
- Packaging
- 5g
- Price
- $105
- Updated
- 2021/12/16
- Product number
- M4590-05PK
- Product name
- MOP3
- Packaging
- 1mg
- Price
- $262
- Updated
- 2021/12/16
3-(Trifluoromethyl)phenyl isocyanate Chemical Properties,Usage,Production
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
Preparation Products
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View Lastest Price from 3-(Trifluoromethyl)phenyl isocyanate manufacturers
- Product
- 3-(Trifluoromethyl)phenyl isocyanate 329-01-1
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kgs
- Release date
- 2020-01-29