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1,1-Bis(4-chlorophenyl)-2,2,2-trifluoroethanol, also known as α,α,α-trifluoro-4'-chlorobenzhydrol, is a synthetic organic compound with the chemical formula C14H8Cl2F3O. It is a colorless to pale yellow crystalline solid that is soluble in organic solvents. 1,1-Bis(4-chlorophenyl)-2,2,2-trifluoroethanol is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its structure consists of a central ethanol molecule with two 4-chlorophenyl groups attached to the carbon atom bearing the hydroxyl group, and a trifluoromethyl group attached to the other carbon atom. Due to its reactivity and versatility, 1,1-bis(4-chlorophenyl)-2,2,2-trifluoroethanol is an important building block in the chemical industry, enabling the production of a wide range of products with diverse applications.

630-71-7

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630-71-7 Usage

Physical state

White, crystalline solid

Odor

Faint

Usage

Fungicide and mildewcide in agriculture

Application

Used on a variety of crops, including fruits, vegetables, and ornamental plants

Mechanism of action

Inhibits the growth of fungal spores and prevents the spread of disease

Environmental concerns

Classified as a potential endocrine disruptor

Persistence

Has been linked to environmental concerns due to its persistence and potential for bioaccumulation

Regulation

Use is regulated in several countries to minimize environmental and human health risks

Check Digit Verification of cas no

The CAS Registry Mumber 630-71-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,3 and 0 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 630-71:
(5*6)+(4*3)+(3*0)+(2*7)+(1*1)=57
57 % 10 = 7
So 630-71-7 is a valid CAS Registry Number.
InChI:InChI=1/C14H9Cl2F3O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H

630-71-7SDS

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 (Bis-(p-chlorophenyl)trifluoromethyl carbinol)

1.2 Other means of identification

Product number -
Other names FDMC

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:630-71-7 SDS

630-71-7Relevant academic research and scientific papers

METHOD FOR PRODUCING TRIFLUOROMETHYL GROUP-CONTAINING ALCOHOLS

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Paragraph 0029-0031; 0033-0035, (2017/02/02)

PROBLEM TO BE SOLVED: To provide a method for producing CF3 group-containing alcohols useful as production intermediates for medicines and agrochemicals. SOLUTION: The method for producing CF3 group-containing alcohols represented by formula (2) comprises

Organocatalyzed Trifluoromethylation of Ketones and Sulfonyl Fluorides by Fluoroform under a Superbase System

Okusu, Satoshi,Hirano, Kazuki,Tokunaga, Etsuko,Shibata, Norio

, p. 581 - 585 (2015/10/20)

Fluoroform (HCF3, HFC-23) is a side product in the manufacture of polytetrafluoroethylene (Teflon). Despite its attractive properties, taming HCF3 for trifluoromethylation is quite problematic owing to its low acidity and the labilit

A sterically demanding organo-superbase avoids decomposition of a naked trifluoromethyl carbanion directly generated from fluoroform

Kawai, Hiroyuki,Yuan, Zhe,Tokunaga, Etsuko,Shibata, Norio

supporting information, p. 1446 - 1450 (2013/05/09)

A simple strategy avoiding the decomposition of a naked trifluoromethyl anion to difluorocarbene by a sterically very demanding organo-superbase without the help of a trifluoromethyl anion reservoir such as DMF is reported. The direct non-metallic trifluoromethylation of carbonyl compounds using fluoroform in the presence of t-Bu-P4 base afforded trifluoromethyl alcohols in high yields.

Alkoxide-induced nucleophilic trifluoromethylation using diethyl trifluoromethylphosphonate

Cherkupally, Prabhakar,Beier, Petr

experimental part, p. 252 - 255 (2010/03/24)

A novel alkoxide-induced nucleophilic trifluoromethylation of carbonyl compounds, disulfides, and diselenides using diethyl trifluoromethylphosphonate is presented. In these reactions diethyl trifluoromethylphosphonate acts as a [CF3-] synthon.

The rhodium-catalysed 1,2-addition of arylboronic acids to aldehydes and ketones with sulfonated S-Phos

White, James R.,Price, Gareth J.,Plucinski, Pawel K.,Frost, Christopher G.

supporting information; experimental part, p. 7365 - 7368 (2010/03/03)

The rhodium-catalysed 1,2-addition of arylboronic acids to aryl aldehydes has been accomplished in high yield using sulfonated S-Phos, a water-soluble biaryl phosphine ligand which allows for catalyst recycling. The catalytic protocol has also been successful in the challenging arylation of ketones.

Alkoxide- and hydroxide-induced nucleophilic trifluoromethylation using trifluoromethyl sulfone or sulfoxide

Prakash, G. K. Surya,Hu, Jinbo,Olah, George A.

, p. 3253 - 3256 (2007/10/03)

(Matrix presented) The first alkoxide- and hydroxide-induced nucleophilic trifluoromethylation of carbonyl compounds, disulfides, and other electrophiles, using phenyl trifluoromethyl sulfone 1a (sulfoxide 1b) is reported. The trifluoromethyl sulfone 1a or sulfoxide 1b acts as a CF3 - synthon. Both sulfone 1a and sulfoxide 1b are commercially available and can also be conveniently prepared from trifluoromethane. The new methodology provides a convenient route for efficient trifluoromethylation.

Substituent Effects on the Solvolysis of 1,1-Diphenyl-2,2,2-trifluoroethyl Tosylates: Comparison between Symmetrically Disubstituted and Monosubstituted Systems

Fujio, Mizue,Morimoto, Hiroshi,Kim, Hyun-Joong,Tsuno, Yuho

, p. 1403 - 1411 (2007/10/03)

The solvolysis rates of 1-(substituted phenyl)-1-phenyl-2,2,2-trifluoroethyl and 1,1-bis(substituted phenyl)-2,2,2-trifluoroethyl tosylates or bromides were conductimetrically measured at 25.0 °C in 80% aqueous ethanol. The substituent effects on these so

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