Dimethyl Phosphorochloridate - ≥96% , CAS No.813-77-4

CAS: 813-77-4 Cat. No.: D137376 Summenformel: (CH₃O)₂P(O)Cl Molekulargewicht: 144.49 EG-Nummer: 629-400-9

GRADE & PURITY ≥96%

Synonyms

O,O-dimethyl chlorophosphate | Methyl phosphorochloridate | Chlorodimethoxyphosphine oxide | Dimethylchlorophosphate | MFCD00117904 | Dimethoxyphosphinic chloride | ICI204636 | Chlorophosphoric Acid Dimethyl Ester | SCHEMBL152158 | GEO-02811 | D5601 | Dim

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

It is used for the synthesis of mono- and diphosphate esters of 2-arachidonyl glyceryl ether.

Specifications

Synonyme

O,O-dimethyl chlorophosphate | Methyl phosphorochloridate | Chlorodimethoxyphosphine oxide | Dimethylchlorophosphate | MFCD00117904 | Dimethoxyphosphinic chloride | ICI204636 | Chlorophosphoric Acid Dimethyl Ester | SCHEMBL152158 | GEO-02811 | D5601 | Dim

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 528766434
• Kanonisches Lächeln: COP(=O)(OC)Cl
• IUPAC Name: [chloro(methoxy)phosphoryl]oxymethane
• InChIKey: NGFFLHMFSINFGB-UHFFFAOYSA-N
• INCHI: 1S/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3
• Isomere SMILES: COP(=O)(OC)Cl
• WGK Deutschland: 3
• Molekulargewicht: 144.49
• Reaxy-Rn: 741978
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741978&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphoric acids and derivatives
      • Subclass Phosphate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphate esters
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphoric acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phosphate esters. These are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive;Moisture sensitive
• Brechungsindex: 1.4110 to 1.4150
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 80°C/25mmHg
• Molekulargewicht: 144.490 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.974 Da
• Monoisotopic Mass: 143.974 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 84.900
• 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

Referenzen

1. Zhi-Xing Han, Wei-Jie Cai, Fang-Ru Lin, Kai-Xin Zhao, Hong-Bin Luo, Zhi-Yuan Liu, Yangyang Liu, Jian-Lan Liu, Xiao-Ming Ren.  (2024)  Integrating metal-organic framework particles on fabric membranes for decontaminating toxic organophosphates.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2024.113175]

2. Qingqing Sun, Mengyuan Wang, Qingqing Wen, Haili Dong, Yanchao Lyu, Jie Han, Rong Guo.  (2025)  Hydrolytic degradation of nerve agent simulants accelerated by host-guest gold nanozymes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163290]

3. Hong-Bin Luo, Xin-Ru Wu, Xu-Wen Li, Zhen Zhang, Kai-Xin Zhao, Fang-Ru Lin, Guo-Qin Zhang, Xu-Sheng Gao, Yangyang Liu, Xiao-Ming Ren.  (2025)  Alginate Beads Embedded with Metal–Organic Framework Particles for Solid-Phase Detoxification of Organophosphate under Ambient Conditions.  INORGANIC CHEMISTRY,      [PMID:41432277] [10.1021/acs.inorgchem.5c04951]