Phosphonate de diméthyle 2-(1,3-dithiole) - ≥97%(GC) , CAS No.133113-76-5

CAS: 133113-76-5 Cat. No.: D155271 Formule: C₅H₉O₃PS₂ Poids moléculaire: 212.22

GRADE & PURITY ≥97%(GC)

Synonyms

Phosphonic acid, 1,3-dithiol-2-yl-, dimethyl ester | AKOS037646367 | MFCD20265584 | 2-(1,3-Dithiole)phosphonic Acid Dimethyl Ester | Dimethyl 2-(1,3-Dithiole)phosphonate | AS-68409 | DTXSID10448434 | Dimethyl 1,3-dithiol-2-ylphosphonate | 2-dimethoxyphosp

Storage

Stocker à -20°C, chargé d'argon

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

Phosphonic acid, 1,3-dithiol-2-yl-, dimethyl ester | AKOS037646367 | MFCD20265584 | 2-(1,3-Dithiole)phosphonic Acid Dimethyl Ester | Dimethyl 2-(1,3-Dithiole)phosphonate | AS-68409 | DTXSID10448434 | Dimethyl 1,3-dithiol-2-ylphosphonate | 2-dimethoxyphosp

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Stocker à -20°C, chargé d'argon

Expédié en

Glacière + blocs de glace

Pureté

≥97%(GC)

Noms et identifiants

• Pubchem Sid: 504765733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765733
• Sourires canoniques: COP(=O)(C1SC=CS1)OC
• IUPAC Name: 2-dimethoxyphosphoryl-1,3-dithiole
• InChIKey: ZQRMTDYBPMYORJ-UHFFFAOYSA-N
• INCHI: 1S/C5H9O3PS2/c1-7-9(6,8-2)5-10-3-4-11-5/h3-5H,1-2H3
• Isomères SMILES: COP(=O)(C1SC=CS1)OC
• Poids moléculaire: 212.22
• Reaxy-Rn: 4247711
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4247711&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters 1,3-dithioles Thioenol ethers Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Dithiole - 1,3-dithiole - Thioenolether - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive,Heat Sensitive
• Indice de réfraction: 1.56
• Point d'éclair (°C): 157 °C
• Poids moléculaire: 212.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.973 Da
• Monoisotopic Mass: 211.973 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 190.000
• 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