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370053

Sigma-Aldrich

4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate

liquid crystal (nematic), 99%

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Empirical Formula (Hill Notation):
C21H27NO2S
CAS Number:
121235-90-3
Molecular Weight:
357.51
MDL number:
MFCD00213564
UNSPSC Code:
12352103
PubChem Substance ID:
57649704

Assay

99%

form

liquid crystal (nematic)

mp

73-113.5 °C (lit.)

transition temp

nematic phase to isotropic phase 113.5 °C
crystalline phase to nematic phase 74.5 °C

SMILES string

CCCCC[C@@]12CC[C@@](CC1)(CC2)C(=O)Oc3ccc(cc3)N=C=S

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-

InChI key

BXZVNXOHCXCVAG-MEMLXQNLSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Articles

Asymmetric Polymerization in Chiral Liquid Crystals

Chiral nematic liquid crystal (N*-LC) facilitates asymmetric acetylene polymerization, yielding helical chains and fibrils in polyacetylene film.

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