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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
Molecular Weight:
187.12
MDL Number:
MFCD00002020
MOL File:
329-01-1.mol
Last updated:2023-04-23 13:52:06

3-(Trifluoromethyl)phenyl isocyanate Properties

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)
FDA UNII QPS7LLZ6XM
NIST Chemistry Reference Benzene, 1-isocyanato-3-(trifluoromethyl)-(329-01-1)
EPA Substance Registry System 3-Trifluoromethylphenyl isocyanate (329-01-1)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
GHS02,GHS05,GHS06,GHS09
Signal word  Danger
Hazard statements  H226-H302-H311-H315-H317-H318-H330-H335-H411
Precautionary statements  P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
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
10
Hazard Note  Toxic/Lachrymatory/Keep Cold
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29291090
NFPA 704
2
4 0

3-(Trifluoromethyl)phenyl isocyanate price More Price(15)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 159387 3-(Trifluoromethyl)phenyl isocyanate 97% 329-01-1 5g $19.36 2024-03-01 Buy
TCI Chemical I0340 3-(Trifluoromethyl)phenyl Isocyanate >96.0%(GC) 329-01-1 5g $47 2024-03-01 Buy
TCI Chemical I0340 3-(Trifluoromethyl)phenyl Isocyanate >96.0%(GC) 329-01-1 25g $136 2024-03-01 Buy
Alfa Aesar L09448 3-(Trifluoromethyl)phenyl isocyanate, 98% 329-01-1 1g $15.65 2024-03-01 Buy
Alfa Aesar L09448 3-(Trifluoromethyl)phenyl isocyanate, 98% 329-01-1 5g $45.65 2024-03-01 Buy
Product number Packaging Price Buy
159387 5g $19.36 Buy
I0340 5g $47 Buy
I0340 25g $136 Buy
L09448 1g $15.65 Buy
L09448 5g $45.65 Buy

3-(Trifluoromethyl)phenyl isocyanate Chemical Properties,Uses,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.

Global( 129)Suppliers
Supplier Tel Email Country ProdList Advantage
Capot Chemical Co.,Ltd.
571-85586718 +8613336195806 sales@capotchem.com China 29797 60
Henan Tianfu Chemical Co.,Ltd.
+86-0371-55170693 +86-19937530512 info@tianfuchem.com China 21691 55
Shanghai Time Chemicals CO., Ltd.
+86-021-57951555 +8617317452075 jack.li@time-chemicals.com China 1807 55
Changzhou Ansciep Chemical Co., Ltd.
+86 519 86305871 sales@ansciepchem.com CHINA 4242 58
Changzhou Ditong Chemical Co.,Ltd
+86-0519-88299272 info@edengenechem.com China 2169 58
Hubei xin bonus chemical co. LTD
86-13657291602 linda@hubeijusheng.com CHINA 22968 58
Standardpharm Co. Ltd.
86-714-3992388 overseasales1@yongstandards.com United States 14336 58
CONIER CHEM AND PHARMA LIMITED
+8618523575427 sales@conier.com China 49390 58
career henan chemical co
+86-0371-86658258 15093356674; factory@coreychem.com China 29826 58
Fuxin Pharmaceutical
+86-021-021-50872116 +8613122107989 contact@fuxinpharm.com China 10297 58

View Lastest Price from 3-(Trifluoromethyl)phenyl isocyanate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-(Trifluoromethyl)phenyl isocyanate pictures 2020-02-01 3-(Trifluoromethyl)phenyl isocyanate
329-01-1
US $1.00 / KG 1KG 99% 200kgs Career Henan Chemical Co
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-(TRIFLUOROMETHYL)PHENYL ISOCYANATE A,A,A-TRIFLUORO-M-TOLYL ISOCYANATE ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL ISOCYANATE Isocyanatobenzotrifluoride ISOCYANIC ACID 3-(TRIFLUOROMETHYL)PHENYL ESTER 3-Isocyanatobenzotrifluoride~alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate 3-Isocyanatobenzotrifluoride Benzotrifluoro-3-isocyanate à,à,à-trifluoro-m-tolyl isocyanate 3-Trifluormethyl-phenylisocyanat TRIFLUOROMETHYL PHENYLISOCYANATE 3-trifluromethyl phenyl isocyanate Isocyanic acid m-trifluoromethylphenyl alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate,98% alpha,alpha,alpha-Trifluo 3-(Trifluoromethyl)phenyl isocyanate ,98% alpha,alpha,alpha-Trifluoro-M-tolyl isocyanate, 98% 5GR Isocyanic Acid 3-(Trifluoromethyl)phenyl Ester alpha,alpha,alpha-Trifluoro-m-tolyl Isocyanate 3-Isocyanatobenzotrifluoride, 1-Isocyanato-3-(trifluoromethyl)benzene M-(TRIFLUOROMETHYL)PHENYL ISOCYANATE BMAL1 JAP3 MOP3 PASD3 3-(Trifluoromethyl)phenyl isocyate α,α,α-Trifluoro-m-tolyl isocyanate 3-(Trifluoromethyl)phenyl Isocyanate(See C4X-112420) 3-(Trifluoromethyl)phenylIsocyanate> Sorafenib Impurity 17 Sorafenib Impurity 17 CRS 329-01-1 Nitrogen Compounds Isocyanates Organic Building Blocks ARYL ISOCYANATE Building Blocks Phenyl isocyanate&Phenyl isothiocyanate