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Basic Information
CAS No.: 4559-70-0
Name: Diphenylphosphine oxide
Article Data: 111
Molecular Structure:
Molecular Structure of 4559-70-0 (Diphenylphosphine oxide)
Formula: C12H11OP
Molecular Weight: 202.193
Synonyms: NSC 77604;
EINECS: 625-671-2
Melting Point: 56-57 °C(lit.)
Boiling Point: 329.217 °C at 760 mmHg
Flash Point: 152.905 °C
Solubility: Slightly soluble in water.
Appearance: Yellow to light orange crystals
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26
PSA: 40.54000
LogP: 2.19710
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Chemistry


IUPAC Name: Oxo(diphenyl)phosphanium
Empirical Formula: C12H11OP 
Molecular Weight: 202.1889 
Canonical SMILES: C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2
InChI: InChI=1S/C12H10OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1 
InChIKey: YFPJFKYCVYXDJK-UHFFFAOYSA-N
XLogP3-AA: 2.5  
H-Bond Donor: 0  
H-Bond Acceptor: 1
Melting Point: 56-57 °C(lit.)
Refractive index: 1.608-1.61
Sensitive: Moisture Sensitive
Flash Point:  152.9 °C 
Enthalpy of Vaporization:  54.9 kJ/mol 
Boiling Point:  329.2 °C at 760 mmHg 
Vapour Pressure:  0.000345 mmHg at 25 °C 
Product Categories of Phosphine oxide,diphenyl- (CAS NO.4559-70-0): Pharmaceutical Intermediates; Catalysis and Inorganic Chemistry; Phosphorus Compounds; Phosphorus Precursors

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany of Phosphine oxide,diphenyl- (CAS NO.4559-70-0): 2

Specification

 Phosphine oxide,diphenyl- (CAS NO.4559-70-0), its Synonyms are Diphenylphosphaneoxide ; Diphenylphosphinigsaure ; Diphenylphosphinit ; Diphenylphosphinous acid ; Phosphorane, diphenyl-, oxide . It is yellow to light orange crystals.