Cyclododecyl isothiocyanate

Base Information

• Chemical Name: Cyclododecyl isothiocyanate
• CAS No.: 59037-64-8
• Molecular Formula: C13H23NS
• Molecular Weight: 225.39
• Hs Code.: 2930909090
• European Community (EC) Number: 670-996-5
• NSC Number: 129254
• DSSTox Substance ID: DTXSID60207790
• Nikkaji Number: J308.899E
• Mol file: 59037-64-8.mol

Synonyms:Cyclododecyl isothiocyanate;59037-64-8;Isothiocyanatocyclododecane;CYCLODODECylisoTHIOCYANATE;NSC129254;Isothiocyanatocyclododecane #;SCHEMBL1457722;DTXSID60207790;VSCLPFIUOOBLQJ-UHFFFAOYSA-N;MFCD00041029;AKOS015840858;NSC 129254;NSC-129254;FT-0624166;A832124

Chemical Property of Cyclododecyl isothiocyanate

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.5360
• Boiling Point: 340 °C at 760 mmHg
• Flash Point: 167.7 °C
• PSA: 44.45000
• Density: 0.99 g/cm³
• LogP: 4.76250
• Sensitive.: Moisture Sensitive
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.15512091
• Heavy Atom Count: 15
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Cyclododecylisothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/38:Irritating to eyes and skin.
• Hazard Codes: R22:Harmful if swallowed.; R36/38:Irritating to eyes and skin.
• Statements: R22:Harmful if swallowed.; R36/38:Irritating to eyes and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(CCCCC1)N=C=S