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Technology Process of 4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate

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

Base Information
  • Chemical Name:4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate
  • CAS No.:121235-90-3
  • Molecular Formula:C21H27 N O2 S
  • Molecular Weight:357.51
  • Hs Code.:2930909090
  • European Community (EC) Number:621-980-1
  • DSSTox Substance ID:DTXSID60401933
  • Nikkaji Number:J668.500E
  • Mol file:121235-90-3.mol
4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate

Synonyms:121235-90-3;4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO;(4-isothiocyanatophenyl) 4-pentylbicyclo[2.2.2]octane-1-carboxylate;4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate;ST50997691;SCHEMBL12272951;DTXSID60401933;BXZVNXOHCXCVAG-UHFFFAOYSA-N;AKOS024365014;4-Pentylbicyclo[2.2.2]octane-1-carboxylic acid 4-isothiocyanatophenyl ester;4-Pentyl-bicyclo[2.2.2]octane-1-carboxylic acid 4-isothiocyanato-phenyl ester;4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate, liquid crystal (nematic), 99%

Suppliers and Price of 4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Sigma-Aldrich
  • 4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate liquid crystal (nematic), 99%
  • 1g
  • $ 96.80
Total 3 raw suppliers
Chemical Property of 4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate
Chemical Property:
  • Vapor Pressure:5.76E-09mmHg at 25°C 
  • Melting Point:73-113.5 °C(lit.) 
  • Refractive Index:1.589 
  • Boiling Point:468.9°Cat760mmHg 
  • Flash Point:237.4°C 
  • PSA：70.75000 
  • Density:1.14g/cm3 
  • LogP:6.24720 
  • XLogP3:7.9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:8
  • Exact Mass:357.17625028
  • Heavy Atom Count:25
  • Complexity:494
Purity/Quality:

95% *data from raw suppliers

4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate liquid crystal (nematic), 99% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes:Xi 
  • Statements: 36/37/38 
  • Safety Statements: 26-37/39 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=C(C=C3)N=C=S
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