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4-Nitro-1,2-Phenylenediamine

CAT: 1299-RG-A262501-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262501-01Size:10 mg
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CAS Number
99-56-9
Synonyms
4-nitrobenzene-1,2-diamine
Molecular Formula
C6H7N3O2
Molecular Weight
153.14
Product Name Synonym
4-nitrobenzene-1,2-diamine

Chemical Information

4-Nitro-1,2-phenylenediamine

4-nitro-1,2-phenylenediamine is the primary amino compound that is 1,2-phenylenediamine (o-phenylenediamine) substituted at the 4- (para-) position by a nitro group. It is a C-nitro compound and a primary amino compound. It is functionally related to a 1,2-phenylenediamine.

CAS Number99-56-9
PubChem CID5111791
IUPAC Name4-nitrobenzene-1,2-diamine
Molecular FormulaC6H7N3O2
Molecular Weight153.14
XLogP0.9
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)N
InChI
InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
InChIKey
RAUWPNXIALNKQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitro-1,2-phenylenediamine
CAS: 99-56-9
CID: 5111791
Formula: C6H7N3O2
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass153.053826475
Monoisotopic Mass153.053826475
Topological Polar Surface Area97.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes