4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO[2.2.2]OCTANE-1-CARBOXYLATE

CAS No.
121235-90-3
CCD No.
CCD00098354
Formula
C21 H27 N O2 S
MolWeight
357.515

Basic Information

Product Name: 4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO[2.2.2]OCTANE-1-CARBOXYLATE
CAS: 121235-90-3
English Synonyms: 4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO[2.2.2]OCTANE-1-CARBOXYLATE
MDL Number.: MFCD00213564
H bond acceptor: 3
H bond donor: 0
Smile: CCCCC[C@@]12CC[C@@](CC1)(CC2)C(=O)Oc3ccc(cc3)N=C=S
InChi: 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: InChIKey=BXZVNXOHCXCVAG-MEMLXQNLSA-N

Property

Melting Point: 73-113.5 DEG C(LIT)
Physical Property: TRANSITION TEMPERATURE: CRYSTALLINE PHASE TO NEMATIC PHASE 74.5 DEG C
TRANSITION TEMPERATURE: NEMATIC PHASE TO ISOTROPIC PHASE 113.5 DEG C
Comments: FORM: LIQUID CRYSTAL (NEMATIC)
UNSPSC: 12171500
WGK: 3

Safety information

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