Product Name

  • Name

    Diisobutyl methylphosphonate

  • EINECS
  • CAS No. 7242-56-0
  • Article Data6
  • CAS DataBase
  • Density 0.969 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H21O3P
  • Boiling Point 253.8 °C at 760 mmHg
  • Molecular Weight 208.238
  • Flash Point 121.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R36/37/38
  • Molecular Structure Molecular Structure of 7242-56-0 (Diisobutyl methylphosphonate)
  • Hazard Symbols
  • Synonyms bis(2-methylpropyl) methylphosphonate;Methylphosphonic acid bis(2-methylpropyl) ester;Methylphosphonic acid diisobutyl ester;
  • PSA 45.34000
  • LogP 3.15450

Diisobutyl methylphosphonate Specification

The Diisobutyl methylphosphonate, with the CAS registry number 7242-56-0, is also known as Methylphosphonic acid diisobutyl ester. This chemical's molecular formula is C9H21O3P and molecular weight is 208.24. What's more, its systematic name is Bis(2-methylpropyl) methylphosphonate. If it is used and stored as specification, it will not decompose. It should be sealed and stored in cool and dry places.

Physical properties of Diisobutyl methylphosphonate are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 21.03; (6)ACD/BCF (pH 7.4): 21.03; (7)ACD/KOC (pH 5.5): 307.95; (8)ACD/KOC (pH 7.4): 307.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 45.34 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 54.02 cm3; (15)Molar Volume: 214.7 cm3; (16)Polarizability: 21.41×10-24 cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.969 g/cm3; (19)Flash Point: 121.3 °C; (20)Enthalpy of Vaporization: 47.13 kJ/mol; (21)Boiling Point: 253.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0286 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC(C)C)(OCC(C)C)C
(2)InChI: InChI=1/C9H21O3P/c1-8(2)6-11-13(5,10)12-7-9(3)4/h8-9H,6-7H2,1-5H3
(3)InChIKey: IGNFYWATZHBYFJ-UHFFFAOYAP

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