Heptyl thiocyanate

Base Information

Chemical Name:Heptyl thiocyanate
CAS No.:5416-94-4
Molecular Formula:C8H15NS
Molecular Weight:157.28
Hs Code.:2930909090
NSC Number:7322
UNII:ZIC9NK498U
DSSTox Substance ID:DTXSID20202509
Nikkaji Number:J1.449.185F
Wikidata:Q83075798
Mol file:5416-94-4.mol

Synonyms:Heptyl thiocyanate;5416-94-4;Thiocyanic acid, heptyl ester;NSC 7322;(heptylsulfanyl)carbonitrile;BRN 1749810;ZIC9NK498U;AI3-18432;NSC-7322;1-thiocyanatoheptane;UNII-ZIC9NK498U;SCHEMBL6241827;DTXSID20202509;NSC7322;AKOS006272439;LS-152697;FT-0693388

Suppliers and Price of Heptyl thiocyanate

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

American Custom Chemicals Corporation
HEPTYL THIOCYANATE 95.00%
5MG
$ 495.11

Total 5 raw suppliers

Chemical Property of Heptyl thiocyanate

Chemical Property:

Vapor Pressure:0.0519mmHg at 25°C
Refractive Index:1.6270 (estimate)
Boiling Point:234.8°C at 760 mmHg
Flash Point:95.8°C
PSA：49.09000
Density:0.936g/cm³
LogP:3.17108
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:157.09252066
Heavy Atom Count:10
Complexity:103

Purity/Quality:: HEPTYL THIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCSC#N

Technology Process of Heptyl thiocyanate

There total 6 articles about Heptyl thiocyanate 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:

: 629-04-9
1-Bromoheptane

: 333-20-0
potassium thioacyanate

: 5416-94-4
heptylsulfanyl cyanate

Guidance literature:: With ethanol;
DOI:10.1021/ja02005a012

Reference yield:

: 111-70-6
n-heptan1ol

: 5416-94-4
heptylsulfanyl cyanate

Guidance literature:: Multi-step reaction with 2 steps

1: amorphous phosphorus; bromine

2: alcohol

With phosphorus; ethanol; bromine;
DOI:10.1021/ja02005a012