3-Phosphatricyclo[4.2.1.01,4]nonane, 9,9-dimethyl-3-phenyl-, 3-oxide
Basic information
- CAS
68957-52-8- Standard SMILES
CC1(C)C2CCC13CP(=O)(c1ccccc1)C3C2- InChIKey
PHJAZRXSBRENRO-UHFFFAOYSA-N- Molecular formula
- C16H21OP
- Average molar mass
- 260.31 g/mol
- Monoisotopic mass
- 260.13300229
Names & identifiers
- Preferred name
- 3-Phosphatricyclo[4.2.1.01,4]nonane, 9,9-dimethyl-3-phenyl-, 3-oxide
- IUPAC
- 9,9-dimethyl-3-phenyl-3λ5-phosphatricyclo[4.2.1.01,4]nonane 3-oxide
- English name
- 9,9-dimethyl-3-phenyl-3-phosphatricyclo[4.2.1.01,4]nonane 3-oxide
- Molecular formula
- C16H21OP
- Molecular weight
- 260.31
Names & synonyms
68957-52-8EINECS 273-344-43-Phosphatricyclo(4.2.1.01,4)nonane, 9,9-dimethyl-3-phenyl-, 3-oxide9,9-Dimethyl-3-phenyl-3-phosphatricyclo(4.2.1.01,4)nonane 3-oxide3-Phosphatricyclo[4.2.1.01,4]nonane, 9,9-dimethyl-3-phenyl-, 3-oxide9,9-DIMETHYL-3-PHENYL-3-PHOSPHATRICYCLO[4.2.1.01,4]NONANE 3-OXIDERefChem:95361273-344-4DTXSID50988687PHJAZRXSBRENRO-UHFFFAOYSA-N9,9-Dimethyl-3-phenyl-3lambda~5~-phosphatricyclo[4.2.1.0~1,4~]nonan-3-one
Database identifiers
- CAS
68957-52-8- PubChem CID
- 111472
- DTXSID
DTXSID50988687- EC Number
- 273-344-4
- Nikkaji
- J310.620I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 426.6 · 426.6±18.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · 3-Phosphatricyclo[4.2.1.01,4]nonane, 9,9-dimethyl-3-phenyl-, 3-oxide (68957-52-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Phosphatricyclo[4.2.1.01,4]nonane, 9,9-dimethyl-3-phenyl-, 3-oxide: INACTIVE
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Compound notes
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