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BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)-, also known as a methylated derivative of benzyl alcohol, is a chemical compound characterized by the molecular formula C9H9Cl3O. It features a trichloromethyl group attached to a benzene ring with a methyl substituent. BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)is primarily utilized as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, polymers, and other industrial applications. However, it is also recognized for its potential health risks, being classified as toxic and possibly carcinogenic, necessitating careful handling and adherence to safety protocols.

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  • 59881-69-5 Structure
  • Basic information

    1. Product Name: BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)-
    2. Synonyms: BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)-;2,2,2-Trichloro-1-m-tolylethanol
    3. CAS NO:59881-69-5
    4. Molecular Formula: C9H9Cl3O
    5. Molecular Weight: 239.52616
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 59881-69-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)-(59881-69-5)
    11. EPA Substance Registry System: BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)-(59881-69-5)
  • 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: 59881-69-5(Hazardous Substances Data)

59881-69-5 Usage

Uses

Used in Pharmaceutical Industry:
BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to facilitate the creation of complex molecular structures that can target specific biological pathways.
Used in Agrochemical Industry:
In the agrochemical sector, BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)serves as an intermediate in the production of pesticides and other crop protection agents, contributing to the development of effective and targeted chemical solutions for agricultural use.
Used in Polymer Production:
BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)is utilized in the manufacturing process of certain polymers, where its unique chemical structure allows for the creation of polymers with specific properties tailored for various applications.
Used in Industrial Applications:
Beyond its use in pharmaceuticals, agrochemicals, and polymers, BenzeneMethanol, 3-Methyl-.alpha.-(trichloroMethyl)is also employed in other industrial applications, capitalizing on its chemical reactivity and versatility to produce a range of products.

Check Digit Verification of cas no

The CAS Registry Mumber 59881-69-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,8,8 and 1 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 59881-69:
(7*5)+(6*9)+(5*8)+(4*8)+(3*1)+(2*6)+(1*9)=185
185 % 10 = 5
So 59881-69-5 is a valid CAS Registry Number.

59881-69-5SDS

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 (+/-)-2,2,2-trichloro-1-(3-methylphenyl)ethanol

1.2 Other means of identification

Product number -
Other names BENZENEMETHANOL,3-METHYL-.ALPHA.-(TRICHLOROMETHYL)-

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:59881-69-5 SDS

59881-69-5Relevant articles and documents

A novel β-(oxy)alkyl radical during copper(I)-mediated stereoselective synthesis of (Z)-ene-1,4-diones in a reaction of 2,2,2-trichloro-1-phenylethanone

Ram, Ram N.,Tittal, Ram K.

supporting information, p. 2437 - 2440 (2016/05/19)

A novel β-(oxy)alkyl radical derived from trichloro methyl compound containing neither a suitably located C-C multiple bond nor a leaving group or a H-atom at the β-position of the radical in a reaction of 2,2,2-trichloro-1-phenyl-ethanone with 2 mol equiv each of CuCl and bpy in refluxing DCE under a N2 atm underwent intramolecular heterolysis (just like formation of intact radical cation-anion pair) during stereoselective radical dimerization to Z-ene-1,4-dione along with small amount of reductive dechlorination product. The stereochemistry was established by X-ray diffraction spectroscopy of various solid crystalline products.

Copper(I)-promoted synthesis of chloromethyl ketones from trichloromethyl carbinols

Ram, Ram N.,Manoj

, p. 5633 - 5635 (2008/12/21)

(Chemical Equation Presented) Reaction of several trichloromethyl carbinols with 2 equiv of CuCl/bpy in refluxing DCE for 3 h afforded chloromethyl ketones in excellent yield by 1,2-H shift in the copper-chlorocarbenoid intermediate.

A practical asymmetric synthesis of homochiral α-arylglycines

Mellin-Morliere, Christelle,Aitken, David J.,Bull, Steven D.,Davies, Stephen G.,Husson, Henri-Philippe

, p. 149 - 155 (2007/10/03)

Enantioselective reduction of a series of substituted aryl trichloromethyl ketones with the CBS-catecholborane reagent afforded homochiral aryl trichloromethyl carbinols which have been elaborated to give homochiral α-arylglycines in high e.e.

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