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About This Item

Empirical Formula (Hill Notation):
C36H17F12NO4S2
CAS Number:
Molecular Weight:
819.64
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
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Assay

95%

form

solid

optical activity

[α]22/D -42.0°, c = 0.5% in chloroform

reaction suitability

reaction type: Aldol Reaction
reaction type: Allylation
reaction type: Carbonyl/Imine Addition
reaction type: Friedel-Crafts Alkylation

mp

325-330 °C

SMILES string

FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c2cc3ccccc3c4-c5c(c(cc6ccccc56)-c7cc(cc(c7)C(F)(F)F)C(F)(F)F)S(=O)(=O)NS(=O)(=O)c24

InChI

1S/C36H17F12NO4S2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)55(52,53)49-54(50,51)31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16,49H

InChI key

DFXCMPXSCANWFA-UHFFFAOYSA-N

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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