Hhtdd

Base Information

Chemical Name:Hhtdd
CAS No.:115029-33-9
Molecular Formula:C6H4N12O14
Molecular Weight:468.16796
Hs Code.:
UNII:A4D9GR5FE5
DSSTox Substance ID:DTXSID401029627
Wikidata:Q5629606
Wikipedia:HHTDD
Mol file:115029-33-9.mol

Synonyms:HHTDD;115029-33-9;A4D9GR5FE5;DTXSID401029627;Q5629606;1,3,4,5,7,8-Hexanitrooctahydrodiimidazo[4,5-b:4',5'-e]pyrazine-2,6(1H,3H)-dione;Diimidazo[4,5-b:4',5'-e]pyrazine-2,6(1H,3H)-dione, octahydro-1,3,4,5,7,8-hexanitro-;Octahydro-1,3,4,5,7,8-hexanitrodiimidazo[4,5-b:4',5'-e]pyrazine-2,6(1H,3H)-dione

Suppliers and Price of Hhtdd

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

Total 2 raw suppliers

Chemical Property of Hhtdd

Chemical Property:

Boiling Point:996oC at 760 mmHg
Flash Point:556.2oC
PSA：328.50000
Density:2.62g/cm3
LogP:-0.69960
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:0
Exact Mass:467.99699285
Heavy Atom Count:32
Complexity:826

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C12C(N(C3C(N1[N+](=O)[O-])N(C(=O)N3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N(C(=O)N2[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Hhtdd

There total 3 articles about Hhtdd 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: 74.0%

: 133868-92-5,133906-33-9,148326-51-6
cis-syn-cis-2,6-Dioxodecahydro-1H,5H-diimidazo<4,5-b:4',5'-e>pyrazine Hydrochloride

: 115029-33-9,133868-95-8
cis-syn-cis-2,6-Dioxo-1,3,4,5,7,8-hexanitrodecahydro-1H,5H-diimidazo<4,5-b:4',5'-e>pyrazine

Guidance literature:: With nitric acid; phosphorus pentoxide; -10 deg C to 45 deg C, 5 h;
DOI:10.1021/jo00010a043

Reference yield: 56.0%

: 133816-46-3
cis-syn-cis-2,6-Dioxo-1,3,4,5,8-pentanitrodecahydro-1H,5H-diimidazo<4,5-b:4',5'-e>pyrazine

: 115029-33-9,133868-95-8
cis-syn-cis-2,6-Dioxo-1,3,4,5,7,8-hexanitrodecahydro-1H,5H-diimidazo<4,5-b:4',5'-e>pyrazine

Guidance literature:: With nitronium tetrafluoborate; In acetonitrile; a) 80 deg C, 3 h; b) 24 deg C, 17 h;
DOI:10.1021/jo00010a043

Reference yield:

: 133816-45-2
cis-syn-cis-2,6-Dioxo-1,4,7,8-tetranitrodecahydro-1H,5H-diimidazo<4,5-b:4',5'-e>pyrazine

: 130256-69-8,133868-94-7
cis-syn-cis-2,6-Dioxo-1,4,5,8-tetranitrodecahydro-1H,5H-diimidazo<4,5-b:4',5'-e>pyrazine

: 115029-33-9,133868-95-8
cis-syn-cis-2,6-Dioxo-1,3,4,5,7,8-hexanitrodecahydro-1H,5H-diimidazo<4,5-b:4',5'-e>pyrazine

Guidance literature:: With nitronium tetrafluoborate; In acetonitrile; Yield given; a) 65-70 deg C, 3 h; b) r.t., 17 h;
DOI:10.1021/jo00010a043