-
Name
tetrapropan-2-yl diphosphate
- EINECS
- CAS No. 5836-28-2
- Article Data5
- CAS DataBase
- Density 1.123g/cm3
- Solubility
- Melting Point
- Formula C12H28O7P2
- Boiling Point 314.6°Cat760mmHg
- Molecular Weight 346.298
- Flash Point 157.9°C
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of POx. See also PHOSPHATES and ESTERS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Isopropyl pyrophosphate Chemical Properties
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):
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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
Isopropyl pyrophosphate 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. |
Isopropyl pyrophosphate 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.
Isopropyl pyrophosphate 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) .
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