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2,2,2-Trinitroacetonitrile

2,2,2-Trinitroacetonitrile structure

CAS No:
630-72-8
Formula:
C2N4O6
Chemical Name:
2,2,2-Trinitroacetonitrile
Synonyms:
Acetonitrile,2,2,2-trinitro-;Acetonitrile,trinitro-;2,2,2-Trinitroacetonitrile;Trinitroacetonitrile;Cyanotrinitromethane

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2,2,2-Trinitroacetonitrile Basic Attributes

Molecular Weight：

176.044

Exact Mass：

176.04

DSSTox ID：

DTXSID70212214

Characteristics

PSA：

161

XLogP3：

0.56348

Density：

1.886g/cm3

Melting Point：

45 °C

Boiling Point：

152.6ºC at 760 mmHg

Flash Point：

46.1ºC

Refractive Index：

1.539

Computed Properties

Molecular Weight:176.05
Hydrogen Bond Acceptor Count:7
Exact Mass:175.98178373
Monoisotopic Mass:175.98178373
Topological Polar Surface Area:161
Heavy Atom Count:12
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2,2-Trinitroacetonitrile

Basic Attributes
Characteristics
Computed Properties

2,2,2-Trinitroacetonitrile

SDS

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