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5836-28-2

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Basic Information
CAS No.: 5836-28-2
Name: tetrapropan-2-yl diphosphate
Article Data: 5
Molecular Structure:
Molecular Structure of 5836-28-2 (tetrapropan-2-yl diphosphate)
Formula: C12H28O7P2
Molecular Weight: 346.298
Density: 1.123g/cm3
Boiling Point: 314.6°Cat760mmHg
Flash Point: 157.9°C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of POx. See also PHOSPHATES and ESTERS.
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Chemistry

Empirical Formula of Isopropyl pyrophosphate (CAS NO.5836-28-2): C12H28O7P2
Molecular Weight: 346.294 g/mol
Index of Refraction: 1.432
Density: 1.123 g/cm3
Flash Point: 157.9 °C
Enthalpy of Vaporization: 53.36 kJ/mol
Boiling Point: 314.6 °C at 760 mmHg
Vapour Pressure: 0.000854 mmHg at 25 °C
Structure of Isopropyl pyrophosphate (CAS NO.5836-28-2):
                
IUPAC Name: Di(propan-2-yloxy)phosphoryl dipropan-2-yl phosphate
Canonical SMILES: CC(C)OP(=O)(OC(C)C)OP(=O)(OC(C)C)OC(C)C
InChI: InChI=1S/C12H28O7P2/c1-9(2)15-20(13,16-10(3)4)19-21(14,17-11(5)6)18-12(7)8/h9-12H,1-8H3
InChIKey: IKRASFDEAZBNOJ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LDLo:5 mg/kg

     NCNSA6    National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),38.
2.    

ipr-mus LD50:16 mg/kg

     PAREAQ    Pharmacological Reviews. 11 (1959),636.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition Isopropyl pyrophosphate (CAS NO.5836-28-2) emits toxic fumes of POx. See also PHOSPHATES and ESTERS.

Specification

 Isopropyl pyrophosphate , its cas register number is 5836-28-2. It also can be called Tetraisopropyl pyrophosphate ; Pyrophosphoric acid, tetraisopropyl ester ; and Diphosphoric acid, tetrakis(1-methylethyl) ester (9CI) .