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2,4,6-(TRIMETHYL)BENZYLCHLORIDE, with the molecular formula C10H13Cl, is a colorless liquid chemical compound derived from benzyl chloride by substituting three hydrogen atoms with methyl groups at the 2, 4, and 6 positions on the benzene ring. It is primarily used as a reagent in organic synthesis, particularly in the creation of fragrances and flavors.

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  • 31053-96-0 Structure
  • Basic information

    1. Product Name: 2,4,6-(TRIMETHYL)BENZYLCHLORIDE
    2. Synonyms: 1-CHLORO-2,4,5-TRIMETHYLBENZENE
    3. CAS NO:31053-96-0
    4. Molecular Formula: C9H11Cl
    5. Molecular Weight: 168.66
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 31053-96-0.mol
  • Chemical Properties

    1. Melting Point: 69.5-71.0 °C
    2. Boiling Point: 213.9 °C at 760 mmHg
    3. Flash Point: 78.4 °C
    4. Appearance: /
    5. Density: 1.029 g/cm3
    6. Vapor Pressure: 0.234mmHg at 25°C
    7. Refractive Index: 1.519
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,4,6-(TRIMETHYL)BENZYLCHLORIDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,4,6-(TRIMETHYL)BENZYLCHLORIDE(31053-96-0)
    12. EPA Substance Registry System: 2,4,6-(TRIMETHYL)BENZYLCHLORIDE(31053-96-0)
  • 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: 31053-96-0(Hazardous Substances Data)

31053-96-0 Usage

Uses

Used in Fragrance and Flavor Industry:
2,4,6-(TRIMETHYL)BENZYLCHLORIDE is used as an intermediate in the synthesis of various fragrances and flavors for its ability to contribute to the unique scents and tastes of these products.
Used in Pharmaceutical Industry:
2,4,6-(TRIMETHYL)BENZYLCHLORIDE is used as a chemical intermediate in the production of various pharmaceuticals, aiding in the synthesis of active ingredients and other components of medications.
Used in Organic Synthesis:
2,4,6-(TRIMETHYL)BENZYLCHLORIDE is used as a reagent in organic synthesis, facilitating the creation of a wide range of organic compounds for various applications.
Used as a Solvent in Chemical Reactions:
2,4,6-(TRIMETHYL)BENZYLCHLORIDE can be used as a solvent in certain chemical reactions, providing a medium for the reaction to occur and potentially enhancing the reaction's efficiency.
Safety Precautions:
2,4,6-(TRIMETHYL)BENZYLCHLORIDE should be handled with care, as it is corrosive and can cause irritation to the skin, eyes, and respiratory system. Proper safety measures, such as wearing protective gear and working in a well-ventilated area, should be taken to minimize exposure and potential hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 31053-96-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,0,5 and 3 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 31053-96:
(7*3)+(6*1)+(5*0)+(4*5)+(3*3)+(2*9)+(1*6)=80
80 % 10 = 0
So 31053-96-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H11Cl/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3

31053-96-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Chlor-2,4,5-trimethyl-benzol

1.2 Other means of identification

Product number -
Other names 1-chloro-2,4,5-trimethyl-benzene

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:31053-96-0 SDS

31053-96-0Relevant articles and documents

Synthetic method 2, 4 and 5 - trimethyl chlorobenzene

-

Paragraph 0033-0047, (2020/07/14)

The invention relates to an electrochemical halogenation method of aromatic hydrocarbon compounds, in particular to a method for preparing 2, 4, 5-trimethylchlorobenzene by taking unsym-trimethylbenzene as a raw material through direct electrolytic synthe

Chlorination and oxidation products formed from 1,2,4-trimethylbenzene in aqueous solution under the action of chlorine dioxide

Khasanova,Vozhdaeva,Kabal'nova,Kantor

, p. 1105 - 1110 (2008/04/05)

Products of the reaction of 1,2,4-trimethylbenzene with chlorine dioxide in aqueous solution were studied. A scheme of 1,2,4-trimethylbenzene transformations was suggested. The influence exerted on the number of the reaction products by the ClO2 dosage and time of its contact with the substrate was examined.

Halogenation Using Quaternary Ammonium Polyhalides. XIX. Aromatic Chlorination of Arenes with Benzyltrimethylammonium Tetrachloroiodate

Kajigaeshi, Shoji,Ueda, Yasuhiro,Fujisaki, Shizuo,Kakinami, Takaaki

, p. 2096 - 2098 (2007/10/02)

The reaction of arenes with a calculated amount of benzyltrimethylammonium tetrachloroiodate in acetic acid at room temperature or at 70 deg C gave nuclear chloro-substituted arenes in fairly good yields.

ELECTROPHILIC CHLORINATION OF 2,4,5-TRIMETHYLDIPHENYLMETHANE AND 1-(2,4,5-TRIMETHYLPHENYL)-1-PHENYLETHANE

Borodovitsyn, V. V.,Pozdnyakovich, Yu. V.,Shein, S. M.

, p. 1741 - 1746 (2007/10/02)

The chlorination of 2,4,5-trimethyldiphenylmethane and 1-(2,4,5-trimethylphenyl)-1-phenylethane leads to the formation of the products from substitution of the hydrogen atoms at position 3 and 6 by chlorine and the products from ipso-substitution of the benzyl groups.

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