Methyl 2-isothiocyanatohexanoate

Base Information

• Chemical Name: Methyl 2-isothiocyanatohexanoate
• CAS No.: 206761-73-1
• Molecular Formula: C8H13NO2S
• Molecular Weight: 187.25932
• Hs Code.: 29321900
• European Community (EC) Number: 671-291-5
• DSSTox Substance ID: DTXSID40374959
• Mol file: 206761-73-1.mol

Synonyms:Methyl DL-2-isothiocyanatocaproate;methyl 2-isothiocyanatohexanoate;206761-73-1;DTXSID40374959;MFCD09025709;AKOS006343970;FT-0682180;EN300-1459010

Chemical Property of Methyl 2-isothiocyanatohexanoate

Chemical Property:

• Vapor Pressure: 0.0163mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 255.4°Cat760mmHg
• Flash Point: 108.3°C
• PSA: 70.75000
• Density: 1.05g/cm³
• LogP: 1.82100
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Sparingly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 187.06669983
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

MethylDL-2-Isothiocyanatocaproate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)OC)N=C=S