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About This Item
Empirical Formula (Hill Notation):
C30H28ClF5N2O2RuS
CAS Number:
Molecular Weight:
712.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
Quality Segment
assay
90%
form
powder
optical activity
[α]25/D −16°, c = 0.1 in chloroform
reaction suitability
reagent type: catalyst
core: ruthenium
reaction type: Noyori Asymmetric Hydrogenation
mp
238-244 °C
functional group
amine, fluoro, phenyl
storage temp.
2-8°C
SMILES string
CC(C)c1ccc(C)cc1.N[C@@H]([C@H](N([Ru]Cl)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c3ccccc3)c4ccccc4
InChI
1S/C20H14F5N2O2S.C10H14.ClH.Ru/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-10,18-19H,26H2;4-8H,1-3H3;1H;/q-1;;;+2/p-1/t18-,19-;;;/m1.../s1
InChI key
UWFMZLATRGEOIW-ZJPTYAPPSA-M
Legal Information
Sold in collaboration with Takasago for research purposes only. WO9720789
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
>212.0 °F - open cup
flash_point_c
> 100 °C - open cup
ppe
Eyeshields, Gloves, type N95 (US)
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