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2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI) is a bicyclic organic compound with the molecular formula C5H7ClO5P. It is a derivative of bicyclic ethers and phosphorus oxohalides, containing a phosphorus atom and a carbonyl chloride group with an attached oxide. This colorless, odorless solid is used in organic synthesis and as a reagent for the preparation of various organic compounds. However, it may pose health and environmental hazards if not handled properly.

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  • 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI)

    Cas No: 120872-19-7

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  • 120872-19-7 Structure
  • Basic information

    1. Product Name: 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI)
    2. Synonyms: 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI)
    3. CAS NO:120872-19-7
    4. Molecular Formula: C5H6ClO5P
    5. Molecular Weight: 212.524901
    6. EINECS: N/A
    7. Product Categories: ACIDHALIDE
    8. Mol File: 120872-19-7.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: 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI)(120872-19-7)
    11. EPA Substance Registry System: 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI)(120872-19-7)
  • 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: 120872-19-7(Hazardous Substances Data)

120872-19-7 Usage

Uses

Used in Organic Synthesis:
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI) is used as a reagent in organic synthesis for the preparation of various organic compounds. Its unique structure and functional groups enable it to participate in a wide range of chemical reactions, making it a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI) is used as an intermediate in the synthesis of drug candidates. Its ability to form stable complexes with other molecules allows it to be used in the development of new drugs with improved pharmacological properties, such as enhanced solubility, stability, and bioavailability.
Used in Agrochemical Industry:
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI) is also utilized in the agrochemical industry as a key intermediate in the synthesis of various agrochemicals, including pesticides and herbicides. Its unique chemical properties enable the development of novel active ingredients with improved efficacy, selectivity, and environmental compatibility.
Used in Specialty Chemicals:
In the specialty chemicals sector, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-carbonyl chloride, 1-oxide (9CI) is employed as a versatile building block for the synthesis of a variety of specialty chemicals, such as dyes, fragrances, and functional materials. Its unique structure and reactivity contribute to the development of innovative products with unique properties and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 120872-19-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,0,8,7 and 2 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 120872-19:
(8*1)+(7*2)+(6*0)+(5*8)+(4*7)+(3*2)+(2*1)+(1*9)=107
107 % 10 = 7
So 120872-19-7 is a valid CAS Registry Number.

120872-19-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-oxo-4-chlorocarbonyl-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane

1.2 Other means of identification

Product number -
Other names 1-Oxo-2,6,7-trioxa-1λ5-phospha-bicyclo[2.2.2]octane-4-carbonyl chloride

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:120872-19-7 SDS

120872-19-7Downstream Products

120872-19-7Relevant articles and documents

Condensation reaction of 1-oxo-4-chlorocarbonyl-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane with N-t-butyl-N-benzoylhydrazine

Wang, Qingmin,Huang, Runqiu

, p. 173 - 179 (2000)

1-Oxo-4-chlorocarbonyl-l-phospha-2,6,7-trioxabicyclo[2.2.2]octane (5) was obtained from phosphorus oxychloride. Benzyl chloroformate was synthesized by the reaction of benzyl alcohol and triphosgene in good yield for the first time. N-t-Butyl-N-benzoylhydrazine (11) was prepared in a new and convenivent procedure with good yield. The reaction of 5 and 11 proceeded smoothly in the presence of sodium carbonate and afforded the desired compound 13 in good yield, while in the presence of triethylamine, the elimination of butyl was observed and afforded the compound 12.

Synthesis of novel bicycli caged phosphate derivatives

Mo, Wen-Yan,He, Hong-Wu

, p. 699 - 700 (2008)

A series of bicycli caged phosphates were synthesized, and biological activity test showed that the title compounds exhibited moderate herbicidal activity. Copyright Taylor & Francis Group, LLC.

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