Bis(2,2,2-trichloroethyl) phosphorochloridate - ≥98% , CAS No.17672-53-6

CAS: 17672-53-6 Cat. No.: B332871 Formula: C₄H₄Cl₇O₃P Peso molecolare: 379.22 Beilstein Registry Number: 1820707 Numero EC: 241-650-7

GRADE & PURITY ≥98%

Synonyms

DTXSID90170180 | EINECS 241-650-7 | J-011220 | FT-0622978 | AKOS015913128 | SCHEMBL312923 | InChI=1/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2 | 1,1,1-trichloro-2-(chloro-(2,2,2-trichloroethoxy)phosphoryl)oxyethane | Bis(2-trichloroethyl) chlo

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

DTXSID90170180 | EINECS 241-650-7 | J-011220 | FT-0622978 | AKOS015913128 | SCHEMBL312923 | InChI=1/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2 | 1,1,1-trichloro-2-(chloro-(2,2,2-trichloroethoxy)phosphoryl)oxyethane | Bis(2-trichloroethyl) chlo

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488186406

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186406

Sorrisi canonici

C(C(Cl)(Cl)Cl)OP(=O)(OCC(Cl)(Cl)Cl)Cl

IUPAC Name

1,1,1-trichloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxyethane

InChIKey

ZHHCWQGVXYGWCW-UHFFFAOYSA-N

INCHI

1S/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2

Isomeri SMILES

C(C(Cl)(Cl)Cl)OP(=O)(OCC(Cl)(Cl)Cl)Cl

WGK Germania

3

Peso molecolare

379.22

Beilstein

1820707

Reaxy-Rn

1820707

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1820707&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphate esters
• Alternative Parents: Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphoric acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (react), and ethanol (100 mg/ml).
• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di fusione (°C): 45-47° C (lit.)
• Peso molecolare: 379.200 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 377.769 Da
• Monoisotopic Mass: 375.772 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 224.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17672-53-6, the molecular formula is C4H4Cl7O3P, and the molecular weight is 379.22 g/mol. InChIKey ZHHCWQGVXYGWCW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.