1,3,6-Hexanetricarbonitrile

Base Information Edit

Chemical Name:1,3,6-Hexanetricarbonitrile
CAS No.:1772-25-4
Molecular Formula:C9H11 N3
Molecular Weight:161.206
Hs Code.:29269090
European Community (EC) Number:217-199-7
UNII:SJY3YNQ3SI
DSSTox Substance ID:DTXSID4041234
Nikkaji Number:J27.810F
Wikidata:Q27289244
ChEMBL ID:CHEMBL3183751
Mol file:1772-25-4.mol

Synonyms:1,3,6-Hexanetricarbonitrile;1772-25-4;hexane-1,3,6-tricarbonitrile;1,3,6-TRICYANOHEXANE;4-Cyanosuberonitrile;HSDB 5855;SJY3YNQ3SI;UNII-SJY3YNQ3SI;DTXSID4041234;EINECS 217-199-7;(+/-)-1,3,6-HEXANETRICARBONITRILE, TECH. , 80+%;SCHEMBL1323168;CHEMBL3183751;DTXCID2021234;BAA77225;Tox21_300976;MFCD00129792;AKOS022182701;1,3,6-TRICYANOHEXANE [HSDB];s12371;NCGC00248239-01;NCGC00254878-01;BS-21827;CAS-1772-25-4;CS-0198995;FT-0690852;H1504;Q27289244

Suppliers and Price of 1,3,6-Hexanetricarbonitrile

Supply Marketing:Edit

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

TRC
Hexane-1,3,6-tricarbonitrile
500mg
$ 75.00

TRC
Hexane-1,3,6-tricarbonitrile
50mg
$ 45.00

TCI Chemical
1,3,6-Hexanetricarbonitrile >98.0%(GC)
25g
$ 659.00

TCI Chemical
1,3,6-Hexanetricarbonitrile >98.0%(GC)
5g
$ 189.00

SynQuest Laboratories
1,3,6-Hexanetricarbonitrile 95%
1 g
$ 240.00

SynQuest Laboratories
1,3,6-Hexanetricarbonitrile 95%
5 g
$ 616.00

Crysdot
Hexane-1,3,6-tricarbonitrile 95+%
25g
$ 557.00

AK Scientific
1,3,6-Hexanetricarbonitrile
5g
$ 291.00

Total 45 raw suppliers

Chemical Property of 1,3,6-Hexanetricarbonitrile Edit

Chemical Property:

Vapor Pressure:5.62E-08mmHg at 25°C
Refractive Index:n20/D 1.466(lit.)
Boiling Point:441°Cat760mmHg
Flash Point:229.5°C
PSA：71.37000
Density:1.022g/cm³
LogP:2.12384
Water Solubility.:16.85g/L at 20℃
XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:161.095297364
Heavy Atom Count:12
Complexity:253

Purity/Quality:

99% ^*data from raw suppliers

Hexane-1,3,6-tricarbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/22
Safety Statements: 23-36

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:C(CC#N)CC(CCC#N)C#N
Uses 1,3,6-Hexanetricarbonitrile is mainly used as an intermediate in organic synthesis, as a high boiling point solvent and as an additive to electrolytes.

Technology Process of 1,3,6-Hexanetricarbonitrile

There total 9 articles about 1,3,6-Hexanetricarbonitrile 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: 92.8%