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4,6-dinitrobenzene-1,3-diamine

4,6-dinitrobenzene-1,3-diamine structure

CAS No:
4987-96-6
Formula:
C6H6N4O4
Chemical Name:
4,6-dinitrobenzene-1,3-diamine
Synonyms:
1,5-Diamino-2,4-dinitrobenzene;4,6-Dinitro-1,3-phenylenediamine;4,6-dinitro-1,3-benzenediamine;1,3-Diamino-4,6-dinitrobenzene;4,6-Dinitro-m-phenylenediamine;4,6-dinitrobenzene-1,3-diamine;1,3-Benzenediamine, 4,6-dinitro-

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4,6-dinitrobenzene-1,3-diamine Basic Attributes

Molecular Weight：

198.14

Exact Mass：

198.03890469 g/mol

NSC Number：

157328

DSSTox ID：

DTXSID40303204

Characteristics

PSA：

143.68000

XLogP3：

2.87620

Density：

1.683

Melting Point：

>300℃

Boiling Point：

535.4±45.0 °C(Predicted)

Flash Point：

277.6ºC

Refractive Index：

1.747

PKA：

-1.40±0.10

Computed Properties

Molecular Weight:198.14
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Exact Mass:198.03890469
Monoisotopic Mass:198.03890469
Topological Polar Surface Area:144
Heavy Atom Count:14
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,6-dinitrobenzene-1,3-diamine

Basic Attributes
Characteristics
Computed Properties

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