CAS 5518-52-5 Tris(furan-2-yl)phosphane (HCID 521585)

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Basic information

CAS: 5518-52-5
Standard SMILES: c1coc(P(c2ccco2)c2ccco2)c1
InChIKey: DLQYXUGCCKQSRJ-UHFFFAOYSA-N
Molecular formula: C12H9O3P
Average molar mass: 232.17 g/mol
Monoisotopic mass: 232.02893078

Names & identifiers

Preferred name: Tris(furan-2-yl)phosphane
IUPAC: tris(furan-2-yl)phosphane
English name: Tri(2-furyl)phosphine
Molecular formula: C12H9O3P
Molecular weight: 232.17

Names & synonyms

tris(furan-2-yl)phosphaneRefChem:900318628-036-8Tri(2-furyl)phosphine5518-52-5Tri(furan-2-yl)phosphineTri-(2-furyl)phosphineTRI-2-FURYLPHOSPHINETRIS(2-FURYL)PHOSPHINEtris(2-furanyl)phosphinetrifuranyl phosphineMFCD00151857

Show more names

tris(2-furyl)phosphaneTri(2-furyLTri(fur-2-yl)phosphineTris(o-furyl)phosphineTris(fur-2-yl)phosphinePhosphine, tri-2-furanyl-Tris(furan-2-yl)phosphine

TRI(FURAN-2-YL)PHOSPHANETRI-2-FURANYLPHOSPHINEtrifuran-2-ylphosphineTRIFURYLPHOSPHINEP(2-furyl)3CS-D1394EN300-207605C12H9O3P

Database identifiers

CAS: 5518-52-5
PubChem CID: 521585
DTXSID: DTXSID00334690
EC Number: 628-036-8
Nikkaji: J150.469J

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 198

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 59 · 59-64 °C (lit.)
Boiling point: 136 °C/4 · 136 °C/4 mmHg (lit.)
Flash point: 136 °C/4mm · 136°C/4mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
color: faintly brown
Sensitive: air sensitive
BRN: 1577564 · 1577564
InChI: InChI=1S/C12H9O3P/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9H
InChIKey: DLQYXUGCCKQSRJ-UHFFFAOYSA-N
SMILES: P(C1=CC=CO1)(C1=CC=CO1)C1=CC=CO1
CAS DataBase Reference: 5518 · 5518-52-5(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 80 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: No
hs_code: 29319090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P280a-P304+P340-P405-P501a-P261-P305+P351+P338

Chemistry & industry

Applications

UsesTRI(2-FURYL)PHOSPHINE is a phopshine ligand used in transition-metal mediated organic synthesis, in particular in wittig reactions to improved (Z) selectivity.

Usessuzuki reaction