Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane

HCID 44597232CAS 1160861-60-8

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(OC)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIKey: KYTUFIMHJNRPLC-UHFFFAOYSA-N
Molecular formula: C39H37F12O2P
Average molar mass: 796.7 g/mol
Monoisotopic mass: 796.23395569

Names & identifiers

Preferred name: Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane
IUPAC: bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
English name: 2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2′,4′,6′-triisopropyl-1,1′-biphenyl 95%
Molecular formula: C39H37F12O2P
Molecular weight: 796.67

Names & synonyms

1160861-60-8DTXSID50659623Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphaneBis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tri(propan-2-yl)[1,1'-biphenyl]-2-yl]phosphaneRefChem:1079940DTXCID70610372Bis(3,5-bis(trifluoromethyl)phenyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphineJackiePhosbis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphaneMFCD17015286Phosphine, bis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]-2-Di[3,5-bis(trifluoromethyl)phenylphosphino]-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl

Show more names

JackiePhos 95%Bis(3,5-bis(trifluoromethyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)2-Di[3,5-bis(trifluoromethyl)phenylphosphino]-3,6-dimethoxy-...2-Bis[3,5-dibutylphosphinyl]-3,6-dimethoxy-2',4',6'-tripropyl-1,1'-biphenyl2-[3,5-Bis(trifluoroMethyl)phenylphosphino]-3,6-diMethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyBis(3,5-bis(trifluoromethyl)phenyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)pBis[3,5-bis(trifluoromethyl)phenyl](2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine

2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl 95%BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL][3,6-DIMETHOXY-2',4',6'-TRIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2-YL]PHOSPHINEC39H37F12O2PJackiePhos, 95%Phosphine, bis[3,5-bis(triflSCHEMBL14782194SCHEMBL293784282-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl

Database identifiers

CAS: 1160861-60-8
PubChem CID: 44597232
DTXSID: DTXSID50659623
Nikkaji: J2.788.339G

Properties

Computed structural properties

XLogP: 13.1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 14
Rotatable bonds: 9
Heavy atoms: 54
Formal charge: 0
Complexity: 1,070

Physicochemical properties

Melting point: 185 · 185-190°C
Boiling point: 599.4 · 599.4±50.0 °C(Predicted)
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
form: crystal
color: white
InChIKey: KYTUFIMHJNRPLC-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(c1P(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)-c4c(cc(cc4C(C)C)C(C)C)C(C)C
UNSPSC Code: 12352112 · 12352112
NACRES: 22 · NA.22
Signal word: Warning
WGK Germany: 3 · 3
TSCA: No
Storage Class: 11 · 11 - Combustible Solids