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2,3,6-Trinitrotoluene

2,3,6-Trinitrotoluene structure

CAS No:
18292-97-2
Formula:
C7H5N3O6
Chemical Name:
2,3,6-Trinitrotoluene
Synonyms:
Benzene,2-methyl-1,3,4-trinitro-;Toluene,2,3,6-trinitro-;Benzene,1-methyl-2,3,6-trinitro-;2-Methyl-1,3,4-trinitrobenzene;2,3,6-Trinitrotoluene;1-Methyl-2,3,6-trinitrobenzene;3-Methyl-1,2,4-trinitrobenzene

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2,3,6-Trinitrotoluene Basic Attributes

Molecular Weight：

227.13100

Exact Mass：

227.13

UNII：

VB65AU8340

DSSTox ID：

DTXSID6075140

HScode：

2904204000

Characteristics

PSA：

137.46000

XLogP3：

3.28920

Density：

1.608 g/cm3

Melting Point：

111.5-112.5 °C @ Solvent: Methanol

Boiling Point：

389.7ºC at 760 mmHg

Flash Point：

202.8ºC

Refractive Index：

1.637

Vapor Pressure：

6.29E-06mmHg at 25°C

Computed Properties

Molecular Weight:227.13
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Exact Mass:227.01783489
Monoisotopic Mass:227.01783489
Topological Polar Surface Area:138
Heavy Atom Count:16
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3,6-Trinitrotoluene

Basic Attributes
Characteristics
Computed Properties

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