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Ethane-1,2-diylbis(diphenylphosphine oxide)

HCID 259102
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Basic information

CAS
4141-50-8
Standard SMILES
O=P(CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
YIMUMKVZUBHTPB-UHFFFAOYSA-N
Molecular formula
C26H24O2P2
Average molar mass
430.4 g/mol
Monoisotopic mass
430.125154

Names & identifiers

Preferred name
Ethane-1,2-diylbis(diphenylphosphine oxide)
IUPAC
[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene
English name
(2-diphenylphosphorylethyl-phenyl-phosphoryl)benzene
Molecular formula
C26H24O2P2
Molecular weight
430.42

Names & synonyms

Ethane-1,2-diylbis(diphenylphosphine oxide)RefChem:591669813-413-34141-50-82-(DIPHENYLPHOSPHORYL)ETHYL(DIPHENYL)PHOSPHINE OXIDE[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene(2-diphenylphosphorylethyl-phenyl-phosphoryl)benzeneMFCD000139071,2-Bis(diphenylphosphinyl)ethaneEthylenebis(diphenylphosphine oxide)EDPOEPDO
Show more names
Phosphorus based flame retardant EDPO1,2-bis(diphenylphosphinoyl)ethane (EDPO)Tetra-P-phenyl-P,P'-ethanediyl-bis-phosphineoxide
Phosphine oxide, ethylenebis[diphenyl-1,2-Bis(diphenylphosphino)ethane dioxideCHEMBL304100SCHEMBL2381086DTXSID80961665YIMUMKVZUBHTPB-UHFFFAOYSA-NPHOSPHINE OXIDE, 1,1'-(1,2-ETHANEDIYL)BIS[DIPHENYL-1,2-Bis(diphenylphosphinoyl)ethane

Database identifiers

CAS
4141-50-8
PubChem CID
259102
DTXSID
DTXSID80961665
ChEMBL
CHEMBL304100
EC Number
813-413-3
Nikkaji
J517.545C

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Formal charge
0
Complexity
509

Physicochemical properties

Melting point
269 · 269-270 °C
Boiling point
553.7 · 553.7±33.0 °C(Predicted)
Density
1.21 · 1.21±0.1 g/cm3(Predicted)
InChI
InChI=1S/C26H24O2P2/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKey
YIMUMKVZUBHTPB-UHFFFAOYSA-N
SMILES
P(C1C=CC=CC=1)(C1C=CC=CC=1)(=O)CCP(C1C=CC=CC=1)(C1C=CC=CC=1)=O

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 · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Chemistry & industry

Upstream & downstream products

Downstream products

TETRACHLOROCATECHOL1,2-Bis(diphenylphosphino)ethane nickel(II) chloride

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