| Identification | More | [Name]
3-(Trifluoromethyl)phenyl isocyanate | [CAS]
329-01-1 | [Synonyms]
3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
A,A,A-TRIFLUORO-M-TOLYL ISOCYANATE
ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL ISOCYANATE
Isocyanatobenzotrifluoride
ISOCYANIC ACID 3-(TRIFLUOROMETHYL)PHENYL ESTER
M-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
α，α，α-Trifluoro-m-tolyl isocyanate
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
isocyanicacid,(m-trifluoromethylphenyl)ester
isocyanobenzotrifluoride
TIC
3-Isocyanatobenzotrifluoride~alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate
3-Isocyanatobenzotrifluoride | [EINECS(EC#)]
206-341-3 | [Molecular Formula]
C8H4F3NO | [MDL Number]
MFCD00002020 | [Molecular Weight]
187.12 | [MOL File]
329-01-1.mol |
| Chemical Properties | Back Directory | [Appearance]
colorless to light yellow liquid | [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.)
| [Fp ]
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 | [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) | [Storage Precautions]
Moisture sensitive;Store under nitrogen;Heat sensitive | [EPA Substance Registry System]
329-01-1(EPA Substance) |
| Questions And Answer | Back Directory | [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. |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,T+ | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed .
R37/38:Irritating to respiratory system and skin .
R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R26:Very Toxic by inhalation.
R21/22:Harmful in contact with skin and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S22:Do not breathe dust .
S9:Keep container in a well-ventilated place . | [RIDADR ]
UN 3384 6.1/PG 1
| [WGK Germany ]
2
| [RTECS ]
NR0200000
| [F ]
10 | [Hazard Note ]
Toxic/Lachrymatory/Keep Cold | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29291090 | [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. |
| Hazard Information | Back Directory | [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]
Notclassified |
|
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
| Company Name: |
Chem-Stone Co.,Ltd.
|
| Telephone: |
020-82185713,82185709 13418171485 |
| Website: |
www.chem-stone.com |
|