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4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN., also known as 4-(tert-butoxy)benzotrifluoride, is a colorless liquid chemical compound with the molecular formula C11H13F3O and a molecular weight of 224.21 g/mol. It is characterized by its high purity, with a minimum purity level of 97%, making it suitable for use in precise and sensitive chemical processes. Additionally, it is highly stable and has low volatility, making it a safer alternative to other solvents.

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  • 16222-44-9 Structure
  • Basic information

    1. Product Name: 4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN.
    2. Synonyms: 4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN.;4-(TERT-BUTOXY)BENZOTRIFLUORIDE;tert-Butyl 4-(trifluoromethyl)phenyl ether, 1-(tert-Butoxy)-4-(trifluoromethyl)benzene;1-(tert-Butoxy)-4-trifluoromethylbenzene;tert-Butyl 4-trifluoromethylphenyl ether;4-(TrifluoroMethyl)-1-tert-butoxybenzene;4-(trifluoroMethyl)phenyltert-butylether
    3. CAS NO:16222-44-9
    4. Molecular Formula: C11H13F3O
    5. Molecular Weight: 218.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 16222-44-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 218℃
    3. Flash Point: 93℃
    4. Appearance: /
    5. Density: 1.110
    6. Vapor Pressure: 0.188mmHg at 25°C
    7. Refractive Index: 1.439
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN.(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN.(16222-44-9)
    12. EPA Substance Registry System: 4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN.(16222-44-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 16222-44-9(Hazardous Substances Data)

16222-44-9 Usage

Uses

Used in Organic Synthesis:
4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN. is used as a solvent for various organic reactions due to its high purity and stability. It provides a controlled environment for chemical reactions, ensuring the desired products are formed with minimal side reactions.
Used in Pharmaceutical Industry:
4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN. is used as an intermediate in the synthesis of pharmaceuticals. Its high purity and stability make it an ideal candidate for the production of active pharmaceutical ingredients, ensuring the quality and efficacy of the final drug products.
Used in Agrochemical Industry:
4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97% MIN. is also used as an intermediate in the synthesis of agrochemicals, such as pesticides and herbicides. Its high purity and stability contribute to the development of effective and safe agrochemical products for agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 16222-44-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,2,2 and 2 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 16222-44:
(7*1)+(6*6)+(5*2)+(4*2)+(3*2)+(2*4)+(1*4)=79
79 % 10 = 9
So 16222-44-9 is a valid CAS Registry Number.
InChI:InChI=1/C11H13F3O/c1-10(2,3)15-9-6-4-8(5-7-9)11(12,13)14/h4-7H,1-3H3

16222-44-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names p-(trifluoromethyl)phenyl tert-butyl ether

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16222-44-9 SDS

16222-44-9Downstream Products

16222-44-9Relevant articles and documents

A study of diketopiperazines as electron-donor initiators in transition metal-free haloarene-arene coupling

Cumine, Florimond,Zhou, Shengze,Tuttle, Tell,Murphy, John A.

, p. 3324 - 3336 (2017/04/21)

Several diketopiperazines have been shown to promote carbon-carbon coupling between benzene and aryl halides in the presence of potassium tert-butoxide and without the assistance of a transition metal catalyst. The structure of the diketopiperazine has an influence on its reductive potential and can help to promote the coupling of the more challenging aryl bromides with benzene.

POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS

-

Page/Page column 24-25, (2009/01/20)

Methods for carbon-sulfur (C S) or carbon-oxygen (C-O) coupling reactions are provided. The methods involve the use of a transition metal complex comprising a heterocyclic carbene ligand complexed with a transition metal. Transition metal complexes comprising a heterocyclic carbene ligand complexed with nickel are also provided. The nickel heterocylic carbene complexes may be used for C-S or C-O coupling reactions.

One-pot synthesis of symmetrical di- and triarylamines using urea as the source of the amino group

Artamkina, Galina A.,Sergeev, Alexey G.,Stern, Mikhail M.,Beletskaya, Irina P.

, p. 235 - 238 (2007/10/03)

A simple one-pot palladium-catalyzed reaction for the conversion of aryl halides to aryl amines using urea as an ammonia equivalent is reported. Arylation of urea in the presence of Pd2dba3, t-Bu 3P·HBF4 and t-BuOK in dioxane gives di- and triarylamines in 65-95% yields. Georg Thieme Verlag Stuttgart.

Urea as ammonia equivalent in aryl halides amination catalyzed by palladium complexes

Artamkina,Sergeev,Shtern,Beletskaya

, p. 1683 - 1689 (2007/10/03)

Urea reaction with nonactivated aryl bromides and chlorides under catalysis with palladium complexes led to the formation in 65-95% yield of triarylamines from para-and meta-substituted aryl halides and of diarylamines from ortho-isomers.

Palladium/P(t-Bu)3-catalyzed synthesis of aryl t-butyl ethers and application to the first synthesis of 4-chlorobenzofuran

Watanabe, Makoto,Nishiyama, Masakazu,Koie, Yasuyuki

, p. 8837 - 8840 (2007/10/03)

Pd/P(t-Bu)3 catalyzed reaction of aryl halides with sodium t-butoxide effectively to give aryl t-butyl ethers. The high catalytic activity realized the formation of aryl t-butyl ethers from not only electron-deficient aryl halides but also electron-rich aryl halides. Moreover, the first synthesis of 4-chlorobenzofuran was attained utilizing the selective mono-t-butoxylation of aryl dihalide.

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