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4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO Structure

4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO

Chemical Properties

Melting point 73-113.5 °C(lit.)
Boiling point 468.9±28.0 °C(Predicted)
Density  1.14±0.1 g/cm3(Predicted)
form  liquid crystal (nematic)
InChI 1S/C21H27NO2S/c1-2-3-4-9-20-10-13-21(14-11-20,15-12-20)19(23)24-18-7-5-17(6-8-18)22-16-25/h5-8H,2-4,9-15H2,1H3/t20-,21-
InChIKey BXZVNXOHCXCVAG-MEMLXQNLSA-N
SMILES CCCCC[C@@]12CC[C@@](CC1)(CC2)C(=O)Oc3ccc(cc3)N=C=S

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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