(R)-(-)-2-Heptyl isothiocyanate

Base Information

• Chemical Name: (R)-(-)-2-Heptyl isothiocyanate
• CAS No.: 737000-93-0
• Molecular Formula: C8H15NS
• Molecular Weight: 157.28
• DSSTox Substance ID: DTXSID801309174
• Mol file: 737000-93-0.mol

Synonyms:(R)-(-)-2-Heptyl isothiocyanate;737000-93-0;(2R)-2-ISOTHIOCYANATOHEPTANE;DTXSID801309174;AKOS025295675;BP-12878;BS-22577

Chemical Property of (R)-(-)-2-Heptyl isothiocyanate

Chemical Property:

• Refractive Index: 1.4860
• Density: 0,909 g/cm3
• Sensitive.: Moisture Sensitive
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 157.09252066
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

(R)-(-)-2-Heptylisothiocyanate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)N=C=S
• Isomeric SMILES: CCCCC[C@@H](C)N=C=S

Technology Process of (R)-(-)-2-Heptyl isothiocyanate

There total 1 articles about (R)-(-)-2-Heptyl isothiocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

thiophosgene (463-71-8) + (R)-2-heptylamine (123-82-0,6240-90-0,7795-34-8,44745-29-1) → (2R)-(-)-2-isothiocyanatoheptane (737000-93-0,21663-51-4)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; water; for 2h;

DOI:10.1016/j.molstruc.2012.12.048

upstream raw materials:

thiophosgene

(R)-2-heptylamine