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4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate
Catalog Number
121235-90-3
CAS
121235-90-3
IUPAC Name
(4-isothiocyanatophenyl) 4-pentylbicyclo[2.2.2]octane-1-carboxylate
Synonyms
4-Isothiocyanatophenyl4-pentylbicyclo[2.2.2]octane-1-carboxylate; ST50997691; AC1N8RUP; 370053_ALDRICH; SCHEMBL12272951; MolPort-003-931-172
Molecular Weight
357.51
Molecular Formula
C21H27NO2S
Product Information
Purity
95%
MDL
MFCD00213564
Appearance
Crystals
Boiling Point
468.9°C at 760mmHg
Melting Point
73-113.5°C(lit.)
Density
1.14g/cm3
Safety Information
Signal Word
Warning
Precautionary Statement
P302+P352-P305+P351+P338
Hazard Statements
H315-H319-H335
WGK Germany
3
Canonical SMILES
CCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=C(C=C3)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
InChI Key
BXZVNXOHCXCVAG-UHFFFAOYSA-N
