Ethyldiphenylphosphine oxide
Basic information
- CAS
1733-57-9- Standard SMILES
CCP(=O)(c1ccccc1)c1ccccc1- InChIKey
AKTGKEBIBGSCLD-UHFFFAOYSA-N- Molecular formula
- C14H15OP
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.0860521
Names & identifiers
- Preferred name
- Ethyldiphenylphosphine oxide
- IUPAC
- [ethyl(phenyl)phosphoryl]benzene
- English name
- DIPHENYLETHYLPHOSPHINE OXIDE
- Molecular formula
- C14H15OP
- Molecular weight
- 230.24
Names & synonyms
Ethyldiphenylphosphine oxide1733-57-9Phosphine oxide, ethyldiphenyl-Diphenyl(ethyl)phosphine oxidePhosphine oxide, diphenylethyl-EINECS 217-068-4UNII-CB83WF95OBCB83WF95OBEthyl diphenyl phosphine oxideBRN 0910291DTXSID701695774-16-00-01010 (Beilstein Handbook Reference)
Show more names
AURORA KA-1563ethydiphenylphosphine oxidediphenylethyl-phosphineoxidEthyldiphenylphosphine oxide 97%Diphenylphosphinoethane monoxideDiphenylethylphosphine oxide, 98+%
RefChem:139122DTXCID7092068217-068-4AKTGKEBIBGSCLD-UHFFFAOYSA-N[ethyl(phenyl)phosphoryl]benzenediphenylethylphosphine oxide[ethyl(phenyl)phosphoroso]benzeneMFCD00013912
Database identifiers
- CAS
1733-57-9- PubChem CID
- 74423
- DTXSID
DTXSID70169577- UNII
- CB83WF95OB
- EC Number
- 217-068-4
- Nikkaji
- J203.133G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 120 · 120-125 °C (lit.)
- Boiling point
- 179 · 179-180°C 14mm
- Density
- 1 · 1,064 g/cm3
- Flash point
- 110 °C · >110°C
- storage temp.
- Store at room temperature
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
- InChIKey
- AKTGKEBIBGSCLD-UHFFFAOYSA-N
- SMILES
- CCP(=O)(c1ccccc1)c2ccccc2
- CAS DataBase Reference
- 1733 · 1733-57-9(CAS DataBase Reference)
- FDA UNII
- 83 WF95OB · CB83WF95OB
- UNSPSC Code
- 12352002 · 12352002
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- SZ0199240
- ridadr
- 3278
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for:Regioselective lactonization of unsymmetrical 1,4-diolsSynthesis of a nanostructured dioxomolybdenum(VI) catalyst for liquid-phase epoxidation of olefinsReduction of tertiary phosphine oxides with DIBAL-HDiphenylphosphineyl-mediated synthesis of ketonesNucleophilic aromatic substitution of hydrogen by phosphorous stabilized carbanionsStereospecific reduction to form phosphines
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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