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167316-27-0

Name (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine
CAS 167316-27-0
Molecular Formula C21H22N2O2S
MDL Number MFCD03095684
Molecular Weight 366.48
MOL File 167316-27-0.mol

Chemical Properties

Appearance White to slightly yellow crystalline powder
Melting point  128-131 °C (lit.)
alpha  61.5 º (C=1, CH2Cl2)
Boiling point  537.3±60.0 °C(Predicted)
density  1.1440 (rough estimate)
refractive index  30 ° (C=1, CHCl3)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Solubility in hot Acetonitrile (almost transparency).
form  crystal
pka 10.76±0.50(Predicted)
color  white
Optical Rotation [α]20/D +35°, c = 1 in chloroform
InChI InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1
InChIKey UOPFIWYXBIHPIP-SFTDATJTSA-N
SMILES C1(S(N[C@@H](C2=CC=CC=C2)[C@@H](N)C2=CC=CC=C2)(=O)=O)=CC=C(C)C=C1
CAS DataBase Reference 167316-27-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HS Code  29242990

Hazard Information

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