Bis[2-(diphenylphosphino)phenyl] ether

HCID 4285986CAS 166330-10-5

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Basic information

Standard SMILES: c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIKey: RYXZOQOZERSHHQ-UHFFFAOYSA-N
Molecular formula: C36H28OP2
Average molar mass: 538.6 g/mol
Monoisotopic mass: 538.16153878

Overview

See also: Bis((diphenylphosphino)phenyl)ether (annotation moved to).

Names & identifiers

Preferred name: Bis[2-(diphenylphosphino)phenyl] ether
IUPAC: [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane
English name: (Oxydi-2,1-phenylene)bis(diphenylphosphine)
Molecular formula: C36H28OP2
Molecular weight: 538.55

Names & synonyms

Bis[2-(diphenylphosphino)phenyl] Etherbis(2-(diphenylphosphino)phenyl) etherRefChem:568683166330-10-5Bis(2-diphenylphosphinophenyl)etherDPEphos(Oxydi-2,1-phenylene)bis(diphenylphosphine)(Oxybis(2,1-phenylene))bis(diphenylphosphine)Bis(2-diphenylphosphinophenyl) etherBis[(2-diphenylphosphino)phenyl] etherMFCD00233863bis[2-(diphenylphosphino)phenyl]ether

Show more names

1-(diphenylphosphino)-2-(2-(diphenylphosphino)phenoxy)benzeneDK994Bis(2-diphenyphosphinophenyl)ether{2-[2-(diene)bis(diphenyL(Oxydi-2,1-phenyL(OXYDI-2,1-PHENYLENE

{2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane2,2'-Bis(diphenylphosphino)diphenyl EtherC36H28OP2[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane(oxybis(2,1-phenylene))bis(diphenylphosphane)Phosphine, 1,1'-[(oxydi-2,1-phenylene)]bis[1,1-diphenyl-[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenyl-phosphaneSB34145

Database identifiers

CAS: 166330-10-5
PubChem CID: 4285986
DTXSID: DTXSID20401575
Nikkaji: J901.920K

Properties

Computed structural properties

XLogP: 8.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 39
Formal charge: 0
Complexity: 594

Physicochemical properties

Melting point: 184 · 184-187 °C (lit.)
Boiling point: 608.2 · 608.2±40.0 °C(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Crystalline Powder or Crystals
color: White to off-white
BRN: 7729718 · 7729718
InChI: InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKey: RYXZOQOZERSHHQ-UHFFFAOYSA-N
SMILES: C1C=CC(OC2C=CC=CC=2P(C2=CC=CC=C2)C2C=CC=CC=2)=C(P(C2C=CC=CC=2)C2=CC=CC=C2)C=1
CAS DataBase Reference: 166330 · 166330-10-5(CAS DataBase Reference)
UNSPSC Code: 12352112 · 12352112
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
TSCA: No
HS Code: 29319090 · 29319090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: No
hs_code: 29319090
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 3 items

Usessuzuki reaction

UsesLigand for ruthenium-catalyzed greener amine synthesis from amines and alcohols by hydrogen-borrowing.Ruthenium-Catalyzed N-Alkylation of Amines and Sulfonamides Using Borrowing Hydrogen Methodology

General DescriptionThis product has been enhanced for catalytic efficiency.