Cas no 112966-13-9 (Anderson-Shapiro reagent)

Anderson-Shapiro reagent structure
Anderson-Shapiro reagent structure
Product Name:Anderson-Shapiro reagent
CAS No:112966-13-9
MF:C4H8ClO3P
MW:170.531281471252
CID:106020
Update Time:2023-08-02

Anderson-Shapiro reagent Chemical and Physical Properties

Names and Identifiers

    • 1,3,2-Dioxaphospholane,2-chloro-4,5-dimethyl-, 2-oxide, (4S,5S)-
    • (4S,5S)-2-Chloro-4,5-dimethyl-1,3,2-dioxaphospholane 2-oxide
    • (4S,5S)-2-chloro-4,5-dimethyl-1,3,2λ<sup>5</sup>-dioxaphospholane 2-oxide
    • (4S,5S)-2-CHLORO-4,5-DIME.-1,3,2-DIOXA- PHOSPHOLANE 2-OXIDE
    • Anderson-Shapiro reagent
    • Inchi: 1S/C4H8ClO3P/c1-3-4(2)8-9(5,6)7-3/h3-4H,1-2H3/t3-,4-/m0/s1
    • InChI Key: NWEOITOLZSNNEX-IMJSIDKUSA-N
    • SMILES: ClP1(=O)O[C@@H](C)[C@H](C)O1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 146
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Density: 1.3?g/mL?at 25?°C(lit.)
  • Boiling Point: 84-86?°C/0.2?mmHg(lit.)
  • Flash Point: 56?°C
  • Refractive Index: n20/D 1.440(lit.)
  • PSA: 45.34000
  • LogP: 2.15710

Anderson-Shapiro reagent Security Information

  • Hazardous Material transportation number:UN 2920 8/PG 2
  • Hazard Category Code: 34
  • Safety Instruction: 26-36/37/39-45
  • Hazardous Material Identification: C
  • Storage Condition:2-8°C
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