Methylenebis(phosphonic dichloride) - ≥97% , CAS No.1499-29-2

CAS: 1499-29-2 Cat. No.: M332858 Formula: CH₂Cl₄O₂P₂ Molecular Weight: 249.78 EC Number: 627-821-2

GRADE & PURITY ≥97%

Synonyms

Methylenebis(phosphonic dichloride), 97% | 4-Methoxy-2-Phenylacetophenone | Bis(dichlorophosphonyl)methane | AKOS016012993 | Phosphonic dichloride, methylenebis- | Bis(dichlorophosphoryl)methane | SCHEMBL668667 | DTXSID10407940 | EN300-134475 | [(dichloro

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Product description：

Methylenebis(phosphonic dichloride) is an organophosphorus compound that is commonly used in phosphonylation reactions. It is more reactive and the rate of reaction is faster compared to POCl3. This is because the phosphorus center is more electrophilic due to the lack of electron back-donation from the CH2 group.

Specifications

Synonyms

Methylenebis(phosphonic dichloride), 97% | 4-Methoxy-2-Phenylacetophenone | Bis(dichlorophosphonyl)methane | AKOS016012993 | Phosphonic dichloride, methylenebis- | Bis(dichlorophosphoryl)methane | SCHEMBL668667 | DTXSID10407940 | EN300-134475 | [(dichloro

Specifications & Purity

≥97%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488195071

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195071

Canonical Smiles

C(P(=O)(Cl)Cl)P(=O)(Cl)Cl

IUPAC Name

bis(dichlorophosphoryl)methane

InChIKey

VRXYCDTWIOCJBH-UHFFFAOYSA-N

INCHI

1S/CH2Cl4O2P2/c2-8(3,6)1-9(4,5)7/h1H2

Isomeric SMILES

C(P(=O)(Cl)Cl)P(=O)(Cl)Cl

UN Number

3261

Packing Group

I

Molecular Weight

249.78

Reaxy-Rn

1072979

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072979&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphonic acids and derivatives
• Alternative Parents: Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphonic acids and derivatives. These are organic compounds containing phosphonic acid or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 102-104° C (lit.)
• Molecular Weight: 249.800 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.825 Da
• Monoisotopic Mass: 247.828 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1