Basic information
- CAS
61481-19-4- Standard SMILES
CC(C)(C)C12COP(=O)(OC1)OC2- InChIKey
CNBZOKKOTFTYLW-UHFFFAOYSA-N- Molecular formula
- C8H15O4P
- Average molar mass
- 206.18 g/mol
- Monoisotopic mass
- 206.07079595
Overview
structure
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-, 1-oxide
- IUPAC
- 4-tert-butyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
- English name
- tert-butyl-bicyclophosphate
- Molecular formula
- C8H15O4P
- Molecular weight
- 206.18
Names & synonyms
61481-19-4tert-Butyl-bicyclophosphate2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-, 1-oxide2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-, 1-oxideRefChem:1882244-(tert-Butyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide4-t-Butyl-1-oxo-1-phospha-2,6,7-trioxabicyclo(2.2.2)octane4-tert-butyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxidet-Butyl-bicyclophosphateBRN 2329390DTXSID809770494-(tert-Butyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octan-1-one
Show more names
2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-one, 4-(tert-butyl)-2-(tert-Butyl)-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphate (1:1)SCHEMBL8127921,3-PROPANEDIOL, 2-(tert-BUTYL)-2-(HYDROXYMETHYL)-, CYCLIC PHOSPHATE (1:1)G697794-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide4-tert-Butyl-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 321 · 321-324 °C(Solv: benzene (71-43-2))
- Boiling point
- 236.2 · 236.2±7.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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