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110931-02-7

2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-, also known as 2-Chloro-3-hydroxy-2,5-cyclohexadiene-1,4-dione, is a chlorinated organic compound with the molecular formula C6H5ClO3. It is a derivative of 3-hydroxy-2,5-cyclohexadiene-1,4-dione and is characterized by its unique structure and reactivity. 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxyplays a significant role in the field of organic chemistry as an intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds.

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  • 110931-02-7 Structure

  • Basic information

    1. Product Name: 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-
    2. Synonyms: 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-
    3. CAS NO:110931-02-7
    4. Molecular Formula: C6H3ClO3
    5. Molecular Weight: 158.54
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 110931-02-7.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: 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-(110931-02-7)
    11. EPA Substance Registry System: 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-(110931-02-7)

  • 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: 110931-02-7(Hazardous Substances Data)

110931-02-7 Usage

Uses

Used in Pharmaceutical Industry:
2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxyis used as an intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity make it a valuable building block for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxyserves as an intermediate for the production of various agrochemicals. Its properties contribute to the development of effective and environmentally friendly solutions for crop protection and pest control.
Used in Organic Chemistry Research:
2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxyis also used as a key building block in the synthesis of a wide range of organic compounds. Its unique structure and reactivity make it an important chemical in the field of organic chemistry, facilitating the development of novel compounds with diverse applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 110931-02-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,0,9,3 and 1 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 110931-02:
(8*1)+(7*1)+(6*0)+(5*9)+(4*3)+(3*1)+(2*0)+(1*2)=77
77 % 10 = 7
So 110931-02-7 is a valid CAS Registry Number.

110931-02-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name chlorohydroxyquinone

1.2 Other means of identification

Product number -
Other names -

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:110931-02-7 SDS

110931-02-7Relevant articles and documents

A combined experimental and computational investigation on the unusual molecular mechanism of the lossen rearrangement reaction activated by carcinogenic halogenated quinones

Shan, Guo-Qiang,Yu, Ao,Zhao, Chuan-Fang,Huang, Chun-Hua,Zhu, Ling-Yan,Zhu, Ben-Zhan

, p. 180 - 189 (2015)

The classic Lossen rearrangement is a wellknown reaction describing the transformation of an Oactivated hydroxamic acid into the corresponding isocyanate. In this study, we found that chlorinated benzoquinones (CnBQ) serve as a new class of agents for the activation of benzohydroxamic acid (BHA), leading to Lossen rearrangement. Compared to the classic one, this new kind of CnBQ-activated Lossen rearrangement has the following unique characteristics: (1) The stability of CnBQ-activated BHA intermediates was found to depend not only on the degree but also on the position of Cl-substitution on CnBQs, which can be divided into two subgroups. (2) It is the relative energy of the anionic CnBQ-BHA intermediates that determine the rate of this CnBQ-activated rearrangement, which is the rate-limiting step, and the Cl or H ortho to the reaction site at CnBQ is crucial for the stability of the anionic intermediates. (3) A pKa-activation energy correlation was observed, which can explain why the correlation exists between the rate of the rearrangement and the acidity of the conjugate acid of the anionic leaving group, the hydroxlated quinones. These findings may have broad implications for future research on halogenated quinoid carcinogens and hydroxamate biomedical agents.

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