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1-(trichloromethyl)-4-(trifluoromethyl)benzene, also known as TCTB, is a chemical compound characterized by the molecular formula C9H4Cl3F3. It is a colorless, odorless solid that exhibits limited solubility in water but is readily soluble in organic solvents. TCTB is recognized for its high reactivity and is primarily utilized as an intermediate in the synthesis of other chemicals. Additionally, it serves as an indicator for the detection of explosives, highlighting its versatility in various industrial applications. However, due to its potential hazards, including harmful effects if ingested, inhaled, or in contact with skin, and its potential long-term impact on aquatic life, TCTB requires careful handling and usage.

13947-96-1

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13947-96-1 Usage

Uses

Used in Chemical Synthesis:
1-(trichloromethyl)-4-(trifluoromethyl)benzene is used as a chemical intermediate for the synthesis of other compounds, leveraging its reactivity to facilitate the production of a range of chemical products.
Used in Explosive Detection:
In the security industry, 1-(trichloromethyl)-4-(trifluoromethyl)benzene is used as an indicator for the detection of explosives, capitalizing on its properties to identify the presence of such hazardous materials.

Check Digit Verification of cas no

The CAS Registry Mumber 13947-96-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,9,4 and 7 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 13947-96:
(7*1)+(6*3)+(5*9)+(4*4)+(3*7)+(2*9)+(1*6)=131
131 % 10 = 1
So 13947-96-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H4Cl3F3/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H

13947-96-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(Trichloromethyl)-4-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 4-Trichlormethyl-benzotrifluorid

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:13947-96-1 SDS

13947-96-1Relevant academic research and scientific papers

Catalytic halodefluorination of aliphatic carbon-fluorine bonds

Goh, Kelvin K.K.,Sinha, Arup,Fraser, Craig,Young, Rowan D.

, p. 42708 - 42712 (2016/05/19)

A variety of halosilanes, in conjunction with aluminum catalysts, convert fluorocarbons into higher halocarbons. Bromination and iodination of fluorocarbons are more effective than chlorination in terms of yield and activity. The mechanism for the reaction is investigated utilizing experimental and computational evidence and preliminary results suggest an alternate mechanism to that reported for the related hydrodefluorination reaction.

Fluorination of trichloromethyl groups

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, (2008/06/13)

A process for the preparation of a trichloromethyl-trifluoromethylbenzene of the formula STR1 wherein R1 and R2 are independently selected from the group consisting of hydrogen, fluorine, chlorine and bromine which comprises contacting a bis-(trichloromethyl)-benzene of the formula STR2 wherein R1 and R2 have the previously assigned significance with less than 6 mols of anhydrous hydrogen fluoride in the presence of a halogen transfer catalyst.

Method for preparing trichloromethyl-trifluoromethyl-benzenes

-

, (2008/06/13)

A process for the preparation of a trichloromethyl-trifluoromethyl-benzene of the formula STR1 wherein R1 and R2 are identical or different and represent hydrogen, fluorine or chlorine, By contacting at least one molecule of the formula STR2 wherein R1 and R2 are as previously identified, m and n are independently 0 to 3 With another molecule of the formula STR3 wherein M AND N ARE INDEPENDENTLY 0 TO 3 In the presence of a halogen transfer catalyst, optionally in the presence of a promoter.

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