Synthesis
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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
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

Preparation Products

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3-(Trifluoromethyl)phenyl isocyanate Suppliers

Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30132
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24539
Advantage
81
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44751
Advantage
61
Capot Chemical Co., Ltd
Tel
+86 (0) 571 85 58 67 18
Fax
0086-571-85864795
Email
sales@capotchem.com
Country
China
ProdList
18217
Advantage
66
JinYan Chemicals(ShangHai) Co.,Ltd.
Tel
13817811078
Fax
86-021-50426522,50426273
Email
sales@jingyan-chemical.com
Country
China
ProdList
9984
Advantage
60
Jia Xing Isenchem Co.,Ltd
Tel
0573-85285100 18627885956
Fax
0573-85285100
Email
isenchem@163.com
Country
China
ProdList
9555
Advantage
66
Shanghai Hanhong Scientific Co.,Ltd.
Tel
021-54306202 13764082696;
Email
info@hanhongsci.com
Country
China
ProdList
42982
Advantage
64
Shandong Xiya Chemical Co., Ltd
Tel
4009903999 13355009207
Fax
0539-6365991
Email
3007715519@qq.com
Country
China
ProdList
18736
Advantage
57
BEST-REAGENT
Tel
400-1166-196 18981987031
Fax
028-84555506 800101999
Email
cdhxsj@163.com
Country
China
ProdList
11726
Advantage
57
Tianjin Jinyuda Chemical Co., Ltd.
Tel
022-58013646 13011382049
Email
sales@jinyudachem.com
Country
China
ProdList
1882
Advantage
55
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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

329-01-1, 3-(Trifluoromethyl)phenyl isocyanateRelated Search:


  • 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
  • 3-(Trifluoromethyl)phenyl Isocyanate(See C4X-112420)
  • 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)phenylIsocyanate&gt
  • Sorafenib Impurity 17
  • Sorafenib Impurity 17 CRS
  • 329-01-1
  • Nitrogen Compounds
  • Isocyanates
  • Organic Building Blocks
  • ARYL ISOCYANATE
  • Building Blocks
  • Phenyl isocyanate&Phenyl isothiocyanate