Basic information
- CAS
51052-72-3- Standard SMILES
CC(C)C12COP(=O)(OC1)OC2- InChIKey
CIEZMYRJRCLYNF-UHFFFAOYSA-N- Molecular formula
- C7H13O4P
- Average molar mass
- 192.15 g/mol
- Monoisotopic mass
- 192.05514589
Overview
highly toxic cpd used in spectroscopic studies, potential flame retardants, vinyl resin stabilizers, & antioxidants; are not cholinesterase inhibitors; structure
Names & identifiers
- Preferred name
- Isopropylbicyclophosphate
- IUPAC
- 4-propan-2-yl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
- English name
- 4-isopropylbicyclophosphate
- Molecular formula
- C7H13O4P
- Molecular weight
- 192.15
Names & synonyms
4-Isopropylbicyclophosphate51052-72-3IsopropylbicyclophosphateR78SDH7XEA4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxideDTXSID501990594-(1-methylethyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxideRefChem:99504DTXCID301215502,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-oxide, 4-isopropyl-2-(Hydroxymethyl)-2-isopropyl-1,3-propanediol, cyclic phosphate (1:1)1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-ISOPROPYL-, CYCLIC PHOSPHATE (1:1)
Show more names
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1-methylethyl)-, 1-oxide4-propan-2-yl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxideIsobicyphatIPTBO4-Isopropyl-2,6,7-trioxa-1-fosfabicyklo(2.2.2)oktan-1-oxid4-Isopropyl-1-phospha-2,6,7-trioxabicyclo(2,2,2)octane 1-oxide4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxideBRN 3541373
Database identifiers
- CAS
51052-72-3
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 224.9 · 224.9±7.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…