Home Amines 4987-96-6
4987-96-6,MFCD00047685
Catalog No.:AA00DJMH

4987-96-6 | 4,6-Dinitro-1,3-benzenediamine

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  • Technical Information
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Technical Information
Catalog Number:
AA00DJMH
Chemical Name:
4,6-Dinitro-1,3-benzenediamine
CAS Number:
4987-96-6
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.1362
MDL Number:
MFCD00047685
SMILES:
Nc1cc(N)c(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
157328
Properties
Properties
 
BP:
535.4±45.0 °C(Predicted)  
Form:
Solid  
MP:
>300℃  

Computed Properties
 
Complexity:
223  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
XLogP3:
1.3  

Literature

Title: Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.

Journal: The journal of physical chemistry. A 20110908

Title: New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.

Journal: The journal of physical chemistry. A 20091022

Title: 4,6-Dinitro-benzene-1,3-diamine.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

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Tags:4987-96-6 Molecular Formula|4987-96-6 MDL|4987-96-6 SMILES|4987-96-6 4,6-Dinitro-1,3-benzenediamine