2,2,2-trinitroacetonitrile

Modify Date: 2025-09-12 12:35:45

2,2,2-trinitroacetonitrile Structure
2,2,2-trinitroacetonitrile structure
Common Name 2,2,2-trinitroacetonitrile
CAS Number 630-72-8 Molecular Weight 176.04500
Density 1.886g/cm3 Boiling Point 152.6ºC at 760 mmHg
Molecular Formula C2N4O6 Melting Point N/A
MSDS N/A Flash Point 46.1ºC

 Names

Name 2,2,2-trinitroacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.886g/cm3
Boiling Point 152.6ºC at 760 mmHg
Molecular Formula C2N4O6
Molecular Weight 176.04500
Flash Point 46.1ºC
Exact Mass 175.98200
PSA 161.25000
LogP 0.56348
Index of Refraction 1.539
InChIKey CPHSXUIZSJHWLU-UHFFFAOYSA-N
SMILES N#CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

 Synthetic Route

~%

2,2,2-trinitroacetonitrile Structure

2,2,2-trinitroa...

CAS#:630-72-8

Literature: Haiges, Ralf; Christe, Karl O. Inorganic Chemistry, 2013 , vol. 52, # 12 p. 7249 - 7260

~%

2,2,2-trinitroacetonitrile Structure

2,2,2-trinitroa...

CAS#:630-72-8

Literature: Schischkow Justus Liebigs Annalen der Chemie, 1861 , vol. 119, p. 249

~%

2,2,2-trinitroacetonitrile Structure

2,2,2-trinitroa...

CAS#:630-72-8

Literature: Schischkow Justus Liebigs Annalen der Chemie, 1857 , vol. 101, p. 215 Annales de Chimie (Cachan, France), 1857 , vol. <3> 49, p. 317

 Synonyms

Acetonitrile,trinitro
Trinitroacetonitrile [Forbidden]
Trinitroacetonitril
Cyanotrinitromethan
TRINITROACETONITRILE
cyanotrinitromethane
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