(Methoxymethyl)diphenylphosphine oxide
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Basic information
- CAS
4455-77-0- Standard SMILES
COCP(=O)(c1ccccc1)c1ccccc1- InChIKey
OEPKDBQOTLDTNC-UHFFFAOYSA-N- Molecular formula
- C14H15O2P
- Average molar mass
- 246.24 g/mol
- Monoisotopic mass
- 246.08096635
Names & identifiers
- Preferred name
- (Methoxymethyl)diphenylphosphine oxide
- IUPAC
- [methoxymethyl(phenyl)phosphoryl]benzene
- English name
- (Methoxymethyl)diphenylphosphine oxide
- Molecular formula
- C14H15O2P
- Molecular weight
- 246.24
Names & synonyms
(Methoxymethyl)diphenylphosphine oxide4455-77-0[methoxymethyl(phenyl)phosphoryl]benzeneDiphenyl(methoxymethyl)phosphine oxidePhosphine oxide, diphenyl(methoxymethyl)-EINECS 224-704-4BRN 0649558YZ819M118BDTXSID10196221(METHOXYMETHYL(PHENYL)PHOSPHORYL)BENZENERefChem:406593DTXCID20118712
Show more names
diphenyl(methoxymethyl)-phosphineoxidMethoxymethyl(diphenyl)phosphineOxide>Phosphine oxide, (methoxymethyl)diphenyl-(Methoxymethyl)diphenylphosphine oxide 98%(METHOXYMETHYL)DIPHENYLPHOSPHINE OXIDE, 98+%(MethoxyMethyl)diphenylphosphine oxide, 98% 5GR(Methoxymethyl)diphenylphosphine oxide - [M90550]
224-704-4Methoxymethyl(diphenyl)phosphine OxideMethoxymethyldiphenylphosphine oxideMFCD00015451Phosphine oxide, (methoxymethyl)diphenyl-[(methoxymethyl)(phenyl)phosphoroso]benzeneHMS2477O20SMSF0003615
Database identifiers
- CAS
4455-77-0- PubChem CID
- 78203
- DTXSID
DTXSID10196221- ChEMBL
CHEMBL1701665- UNII
- YZ819M118B
- EC Number
- 224-704-4
- Nikkaji
- J205.845F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 115 · 115-117 °C(lit.)
- Boiling point
- 334.7 · 334.7±25.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 0.1 g/mL, · methylene chloride: 0.1 g/mL, clear
- form
- Crystalline Powder
- color
- White to pale yellow
- BRN
- 649558 · 649558
- FDA UNII
- 819 M118B · YZ819M118B
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312a-P330-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- SZ0199360
- hs_code
- 29199000
- Toxicity
- mouse,LD50,oral,1500mg/kg (1500mg/kg),Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 22, 1990.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-36/37
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Applications
UsesCatalyst for:Molybdenum hexacarbonyl-mediated Pauson-Khand reactionsRhodium-catalyzed hydroformylation reaction
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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