Basic information
- CAS
597-50-2- Standard SMILES
CCP(=O)(CC)CC- InChIKey
ZSSWXNPRLJLCDU-UHFFFAOYSA-N- Molecular formula
- C6H15OP
- Average molar mass
- 134.16 g/mol
- Monoisotopic mass
- 134.08605173
Names & identifiers
- Preferred name
- Triethylphosphine oxide
- IUPAC
- 1-diethylphosphorylethane
- English name
- Triethylphosphine oxide
- Molecular formula
- C6H15OP
- Molecular weight
- 134.16
Names & synonyms
Triethylphosphine oxide597-50-2Phosphine oxide, triethyl-Triethylphoshorus oxideEBL8T8KF7PTL 433BRN 1741571AI3-51002NSC 41934SKF 39804DTXSID40208407NSC-41934
Show more names
tl433skf39804nsc41934(C2H5)3P=OHISHICOLIN PO-2triethyl-phosphineoxid
4-04-00-03463 (Beilstein Handbook Reference)RefChem:899550DTXCID20130898678-907-1TRIETHYLPHOSPHINEOXIDE1-diethylphosphorylethane(diethylphosphoryl)ethaneMFCD00013914
Database identifiers
- CAS
597-50-2- PubChem CID
- 79061
- DTXSID
DTXSID40208407- UNII
- EBL8T8KF7P
- EC Number
- 678-907-1
- Nikkaji
- J134.559A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.7
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 48 · 48-52 °C(lit.)
- Boiling point
- 84 · 84-85 °C (3 mmHg)
- Density
- 0.884 · 0.884
- Flash point
- 133 °F · 133 °F
- form
- Needles
- color
- White
- Water Solubility
- Soluble in water.
- Stability
- hygroscopic
- InChI
- 1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
- InChIKey
- ZSSWXNPRLJLCDU-UHFFFAOYSA-N
- SMILES
- CCP(=O)(CC)CC
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 T8KF7P · EBL8T8KF7P
- UNSPSC Code
- 12352001 · 12352001
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 45 · 45-36/37/39-26
- RIDADR
- 1759 · 1759
- WGK Germany
- 3 · 3
- RTECS
- 1640000 · SZ1640000
- HS Code
- 29310099 · 29310099
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
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 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- SZ1640000
- ridadr
- 1759
- hs_code
- 29310099
- risk_code
- 34
- Symbol(GHS)
- GHS07
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesTriethylphosphine oxide is used as a probe molecule and systems are evaluated by 31P NMR spectroscopy. Triethylphosphine oxide is used to produce tris(perfluoroethyl)difluorophosphane. This reaction will need reagent of HF. This reaction needs electrochemical fluorination.
Suppliers50 total
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Related reactions
2 records
Compound notes
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