850409-83-5

Name (1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene
CAS 850409-83-5
Molecular Formula C20H18
MDL Number MFCD15143645
Molecular Weight 258.36
MOL File 850409-83-5.mol
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Chemical Properties

Melting point  69-76°C
Boiling point  383.0±42.0 °C(Predicted)
density  1.104±0.06 g/cm3(Predicted)
storage temp.  -20°C
form  solid
Appearance White to off-white Solid
Optical Rotation [α]22/D +34.0°, c = 0.7 in chloroform
InChI 1S/C20H18/c1-3-7-15(8-4-1)19-13-18-12-11-17(19)14-20(18)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18-/m0/s1
InChIKey BDYBOFJAEBJDMI-ROUUACIJSA-N
SMILES C1C[C@H]2C=C([C@@H]1C=C2c3ccccc3)c4ccccc4

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
HS Code  2902190000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3

Hazard Information

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