Name: Name:4,6-Dinitro-1,3-benzenediamine
Brand: Angene
SKU: AG00DJP9
Rating: 90 (10 reviews)

4,6-Dinitro-1,3-benzenediamine

CAS No.:

4987-96-6

Catalog Number:

AG00DJP9

Molecular Formula:

C6H6N4O4

Molecular Weight:

198.1362

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

10mg

90%

1 week

United States

$121

- +

Product Description

Catalog Number:

AG00DJP9

Chemical Name:

4,6-Dinitro-1,3-benzenediamine

CAS Number:

4987-96-6

Molecular Formula:

C6H6N4O4

Molecular Weight:

198.1362

MDL Number:

MFCD00047685

IUPAC Name:

4,6-dinitrobenzene-1,3-diamine

InChI:

InChI=1S/C6H6N4O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,7-8H2

InChI Key:

DFBUFGZWPXQRJV-UHFFFAOYSA-N

SMILES:

Nc1cc(N)c(cc1[N+](=O)[O-])[N+](=O)[O-]

NSC Number:

157328

Properties

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.138g/mol

Monoisotopic Mass:

198.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

144A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.	The journal of physical chemistry. A 20110908
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.	The journal of physical chemistry. A 20091022
4,6-Dinitro-benzene-1,3-diamine.	Acta crystallographica. Section E, Structure reports online 20080501

Properties