3,5-Diaminonitrobenzene

CAT: 0024-sc-335855CSize: 10 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-335855CSize:10 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

5042-55-7

Chemical Information

5-Nitro-1,3-benzenediamine

CAS Number	5042-55-7
PubChem CID	21134
IUPAC Name	5-nitrobenzene-1,3-diamine
Molecular Formula	C6H7N3O2
Molecular Weight	153.14
XLogP	1.4
Topological Polar Surface Area	97.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	146

SMILES

C1=C(C=C(C=C1N)[N+](=O)[O-])N

InChI

InChI=1S/C6H7N3O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,7-8H2

InChIKey

DFWXYHZQNLIBLY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5042-55-7

CID: 21134

Formula: C6H7N3O2

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	153.053826475
Monoisotopic Mass	153.053826475
Topological Polar Surface Area	97.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-208442B	3,3',5,5'-Tetramethylbenzidine
sc-208442A	3,3',5,5'-Tetramethylbenzidine
sc-266862A	3,3',5,5'-Tetramethylbiphenyl
sc-238640A	3,3',5,5'-Tetrabromobisphenol A
sc-238640	3,3',5,5'-Tetrabromobisphenol A
sc-216639	3′,3′′,5′,5′′-Tetraiodophenolphthalein
sc-209721B	3,5,3',5'-Tetrachlorobisphenol A
sc-209721	3,5,3',5'-Tetrachlorobisphenol A
sc-208442D	3,3',5,5'-Tetramethylbenzidine
sc-206023B	3′,3′′,5′,5′′-Tetraiodophenolsulfonephthalein

Catalog	Name
JH917154	3,5-DIAMINONITROBENZENE
RG-T052045-01	3,3',5,5'-Tetraisopropyldiphenoquinone
OR1010730-01	3,3',5,5'-Tetrabromobisphenol A
29622681-25g	3,3,5,5-Tetramethylbenzidine
33314-64	3,3',5,5'-Tetramethylbenzidine
T4260-01	3',3'',5',5''-Tetraiodophenolphthalein
021442	3,5,3’,5’-Tetrachlorobisphenol A
HY-D0912	3,3',5,5'-Tetraethylbenzidine
OR1097753	3,3,5,5-Tetramethylcyclohexanol
16400-50-3	3,3',5,5'-Tetrabromobiphenyl