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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3-(Trifluoromethyl)phenyl isocyanate Suppliers

Americas 1 Belgium 1 China 81 China Hong Kong 1 Czech Republic 2 Europe 3 France 1 Germany 3 India 3 Japan 2 Slovakia 1 Switzerland 1 Ukraine 1 United Kingdom 7 United States 19 Global 127

Alfa Aesar

Tel: 400-6106006
Fax: 021-67582001/03/05
Email: saleschina@alfa-asia.com
Country: China
ProdList: 30123
Advantage: 84

TCI (Shanghai) Development Co., Ltd.

Tel: 021-67121386
Fax: 021-67121385
Email: Sales-CN@TCIchemicals.com
Country: China
ProdList: 24529
Advantage: 81

Energy Chemical

Tel: 021-021-58432009 400-005-6266
Fax: 021-58436166
Email: sales8178@energy-chemical.com
Country: China
ProdList: 44689
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: 18207
Advantage: 66

JinYan Chemicals(ShangHai) Co.,Ltd.

Tel: 13817811078
Fax: 86-021-50426522,50426273
Email: sales@jingyan-chemical.com
Country: China
ProdList: 9976
Advantage: 60

Jia Xing Isenchem Co.,Ltd

Tel: 0573-85285100 18627885956
Fax: 0573-85285100
Email: isenchem@163.com
Country: China
ProdList: 9413
Advantage: 66

Shanghai Hanhong Scientific Co.,Ltd.

Tel: 021-54306202 13764082696
Email: info@hanhongsci.com
Country: China
ProdList: 42958
Advantage: 64

Shandong Xiya Chemical Co., Ltd

Tel: 4009903999 13355009207
Fax: 0539-6365991
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ProdList: 18738
Advantage: 57

Sichuan Kulinan Technology Co., Ltd

Tel: 400-1166-196 18981987031
Fax: 028-84555506 800101999
Email: cdhxsj@163.com
Country: China
ProdList: 11707
Advantage: 57

Tianjin Jinyuda Chemical Co., Ltd.

Tel: 022-58013646 13011382049
Fax: 022-23854368
Email: sales@jinyudachem.com
Country: China
ProdList: 1889
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:

4'-(Trifluoromethyl)acetophenone PHENYL ACETATE Trityl olmesartan Phenyl isothiocyanate PHENYL VALERATE ISOCYANIC ACID 2-(Trifluoromethyl)benzoic acid 2-(Trifluoromethyl)benzaldehyde Benzotrifluoride Isocyanatocyclohexane Propyl isocyanate 3-Fluorobenzotrifluoride 3-(Trifluoromethyl)benzaldehyde Phenyl butyrate 2-Methylbenzotrifluoride PHENYL RESIN Sorafenib IMpurity Phenol, 4-(hydroxyamino)-

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