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About This Item
Empirical Formula (Hill Notation):
C36H18F12O2
CAS Number:
Molecular Weight:
710.51
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
MDL number:
Quality Segment
assay
95%
form
solid
optical activity
[α]22/D 45°, c = 1 in chloroform
mp
216-220 °C
functional group
fluoro
SMILES string
FC(F)(F)c1cc(cc(c1)c2cc3c(c(c2O)c4c5c(cc(c4O)c6cc(cc(c6)C(F)(F)F)C(F)(F)F)cccc5)cccc3)C(F)(F)F
InChI
1S/C36H18F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16,49-50H
InChI key
PGXMYJSTCAQJBY-UHFFFAOYSA-N
Application
Precursor to a chiral Bronsted acid (680184) used to catalyze an enantioselective aza Diels-Alder reaction providing bicyclic lactams. Rare earth metal complexes of this chiral binapthol catalyze an intramolecular hydroamination of amino olefins leading to chiral pyrrolidines.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
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