ChemicalBook > CAS DataBase List > 3-(Trifluoromethyl)phenyl isocyanate
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
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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
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.359
- 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)
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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 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
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H226Flammable liquid and vapour
H302Harmful if swallowed
H311Toxic in contact with skin
H315Causes skin irritation
H317May cause an allergic skin reaction
H318Causes serious eye damage
H330Fatal if inhaled
H335May cause respiratory irritation
H411Toxic to aquatic life with long lasting effects
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face 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.
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 159387
- Product name
- 3-(Trifluoromethyl)phenyl isocyanate
- Purity
- 97%
- Packaging
- 5g
- Price
- $19.36
- Updated
- 2024/03/01
TCI Chemical
- Product number
- I0340
- Product name
- 3-(Trifluoromethyl)phenyl Isocyanate
- Purity
- >96.0%(GC)
- Packaging
- 5g
- Price
- $47
- Updated
- 2024/03/01
TCI Chemical
- Product number
- I0340
- Product name
- 3-(Trifluoromethyl)phenyl Isocyanate
- Purity
- >96.0%(GC)
- Packaging
- 25g
- Price
- $136
- Updated
- 2024/03/01
Alfa Aesar
- Product number
- L09448
- Product name
- 3-(Trifluoromethyl)phenyl isocyanate, 98%
- Packaging
- 1g
- Price
- $15.65
- Updated
- 2024/03/01
Alfa Aesar
- Product number
- L09448
- Product name
- 3-(Trifluoromethyl)phenyl isocyanate, 98%
- Packaging
- 5g
- Price
- $45.65
- Updated
- 2024/03/01
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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
1-Chloro-2-methylpropane
Nitrogen
Triphosgene
Triethylamine
Tetrahydrofuran
Chlorobenzene
Ethyl acetate
Hydrochloric acid
Sodium bicarbonate
Dichloromethane
Sodium hydroxide
3-Aminobenzotrifluoride
Preparation Products
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View Lastest Price from 3-(Trifluoromethyl)phenyl isocyanate manufacturers
Career Henan Chemical Co
- 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
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