4-(2-Cyanoethyl)-4-nitroheptanedinitrile

Base Information

Chemical Name:4-(2-Cyanoethyl)-4-nitroheptanedinitrile
CAS No.:1466-48-4
Molecular Formula:C10H12N4O2
Molecular Weight:220.231
Hs Code.:2926909090
European Community (EC) Number:215-983-3
NSC Number:680512
UNII:E352DQR73S
DSSTox Substance ID:DTXSID70163414
Nikkaji Number:J206.671H
Wikidata:Q83032310
Mol file:1466-48-4.mol

Synonyms:1466-48-4;1,1,1-Tris(2-cyanoethyl)nitromethane;4-(2-Cyanoethyl)-4-nitroheptanedinitrile;Tris(2-cyanoethyl)nitromethane;4-Cyanoethyl-4-nitropimelonitrile;Heptanedinitrile, 4-(2-cyanoethyl)-4-nitro-;NSC680512;E352DQR73S;EINECS 215-983-3;NSC 680512;NSC-680512;AI3-23096;4-(2-Cyanoethyl)-4-nitro-1,7-heptanedinitrile;Propargylmethacrylate;Heptanedinitrile,4-(2-cyanoethyl)-4-nitro-;UNII-E352DQR73S;SCHEMBL1005808;DTXSID70163414;MFCD00013830;STK367065;Tris(2-cyanoethyl)nitromethane, 95%;AKOS003238380;4-(2-cyanoethyl)-4-nitro-pimelonitrile;AS-66059;4-(2-cyanoethyl)-4-nitro-heptanedinitrile;4-(2-Cyanoethyl)-4-nitroheptanedinitrile #;CS-0158406;FT-0616530;E76641;J-008236;4-(2-Cyanoethyl)-4-(hydroxy(oxido)amino)heptanedinitrile;4-(2-Cyanoethyl)-4-nitropimelonitrile, Nitro-tris(2-cyanoethyl)methane;3,3',3″-(Nitromethylidyne)tripropionitrile, 4-(2-Cyanoethyl)-4-nitroheptanedinitrile

Suppliers and Price of 4-(2-Cyanoethyl)-4-nitroheptanedinitrile

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

TRC
4-Cyanoethyl-4-nitropimelonitrile
500mg
$ 60.00

Sigma-Aldrich
Tris(2-cyanoethyl)nitromethane 95%
10g
$ 48.50

Matrix Scientific
1,1,1-Tris(2-cyanoethyl)nitromethane
100g
$ 396.00

Matrix Scientific
1,1,1-Tris(2-cyanoethyl)nitromethane
25g
$ 118.00

American Custom Chemicals Corporation
TRIS-(2-CYANOETHYL)NITROMETHANE 95.00%
100G
$ 2649.86

American Custom Chemicals Corporation
TRIS-(2-CYANOETHYL)NITROMETHANE 95.00%
25G
$ 1158.18

AK Scientific
4-(2-Cyanoethyl)-4-nitroheptanedinitrile
25g
$ 209.00

Total 20 raw suppliers

Chemical Property of 4-(2-Cyanoethyl)-4-nitroheptanedinitrile

Chemical Property:

Vapor Pressure:1.07E-10mmHg at 25°C
Melting Point:111-113 °C
Refractive Index:1.491
Boiling Point:514.6 °C at 760 mmHg
Flash Point:265 °C
PSA：117.19000
Density:1.18 g/cm³
LogP:2.43644
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:220.09602564
Heavy Atom Count:16
Complexity:333

Purity/Quality:

97% ^*data from raw suppliers

4-Cyanoethyl-4-nitropimelonitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C(CC(CCC#N)(CCC#N)[N+](=O)[O-])C#N
Uses Tris(2-cyanoethyl)nitromethane may be used as starting reagent in the synthesis of 1-azoniatricyclo-(3,3,3,0)-undecane bromide.

Technology Process of 4-(2-Cyanoethyl)-4-nitroheptanedinitrile

There total 6 articles about 4-(2-Cyanoethyl)-4-nitroheptanedinitrile 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: 84.0%

: 75-52-5
nitromethane

: 107-13-1,25014-41-9
acrylonitrile

: 1466-48-4
tris(2-cyanoethyl)nitromethane

Guidance literature:: With potassium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In 1,4-dioxane; water; at 80 - 85 ℃;
DOI:10.1021/jo00258a033