Heptyl isothiocyanate

Base Information

Chemical Name:Heptyl isothiocyanate
CAS No.:4426-83-9
Molecular Formula:C8H15NS
Molecular Weight:157.28
Hs Code.:29309099
European Community (EC) Number:224-610-3
DSSTox Substance ID:DTXSID5063449
Nikkaji Number:J1.262I
ChEMBL ID:CHEMBL2285739
Mol file:4426-83-9.mol

Synonyms:Heptyl isothiocyanate;4426-83-9;1-Isothiocyanatoheptane;Heptane, 1-isothiocyanato-;1-heptyl isothiocyanate;Heptylisothiocyanate;n-Heptyl isothiocyanate;n-heptylisothiocyanate;EINECS 224-610-3;AI3-28262;MFCD00041138;1-Isothiocyanatoheptane #;SCHEMBL330703;CHEMBL2285739;DTXSID5063449;AKOS003352784;FT-0607992;E78221;A826524;J-640343;J-800346

Suppliers and Price of Heptyl isothiocyanate

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

SynQuest Laboratories
Heptylisothiocyanate 98%
5 g
$ 59.00

SynQuest Laboratories
Heptylisothiocyanate 98%
1 g
$ 30.00

SynQuest Laboratories
Heptylisothiocyanate 98%
25 g
$ 233.00

American Custom Chemicals Corporation
HEPTYL ISOTHIOCYANATE 95.00%
25G
$ 1194.56

American Custom Chemicals Corporation
HEPTYL ISOTHIOCYANATE 95.00%
5G
$ 814.97

Ambeed
Heptylisothiocyanate 98%
25g
$ 80.00

Ambeed
Heptylisothiocyanate 98%
5g
$ 20.00

Alfa Aesar
1-Heptyl isothiocyanate, 96%
5g
$ 27.10

Alfa Aesar
1-Heptyl isothiocyanate, 96%
25g
$ 101.00

AHH
Heptylisothiocyanate 98%
250g
$ 298.00

Total 24 raw suppliers

Chemical Property of Heptyl isothiocyanate

Chemical Property:

Appearance/Colour:clear yellow liquid
Vapor Pressure:0.107mmHg at 25°C
Refractive Index:1.4905-1.4925
Boiling Point:229°Cat760mmHg
Flash Point:90.1°C
PSA：44.45000
Density:0.9g/cm³
LogP:3.05960
Sensitive.:Moisture Sensitive
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:157.09252066
Heavy Atom Count:10
Complexity:106

Purity/Quality:

97% ^*data from raw suppliers

Heptylisothiocyanate 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 36/37/38-20/21/22
Safety Statements: 36/37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCN=C=S

Technology Process of Heptyl isothiocyanate

There total 6 articles about 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:

: 111-68-2
1-Heptylamine

: 4426-83-9
1-heptyl isothiocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 0.5 h / 2 - 5 °C

2: dihydrogen peroxide / tetrahydrofuran

With dihydrogen peroxide; In tetrahydrofuran;
DOI:10.1007/s00044-012-0323-4