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3,3’-Dinitrobenzidine

CAT: 0572-TRC-D479710-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D479710-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6271-79-0
Synonyms
3,3'-Dinitro-[1,1'-biphenyl]-4,4'-diamine; NSC 37067;
Hazard Statement
Causes skin irritation
Smiles
Nc1ccc(cc1[N+](=O)[O-])c2ccc(N)c(c2)[N+](=O)[O-]
Molecular Formula
C12 H10 N4 O4
Molecular Weight
274.232
InChI
InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
Additionnal Information
IUPAC name: 4-(4-amino-3-nitrophenyl)-2-nitroaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,3'-Dinitrobenzidine
CAS Number6271-79-0
PubChem CID3106720
IUPAC Name4-(4-amino-3-nitrophenyl)-2-nitroaniline
Molecular FormulaC12H10N4O4
Molecular Weight274.23
XLogP3
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity345
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N
InChI
InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
InChIKey
OCEINMLGYDSKFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dinitrobenzidine
CAS: 6271-79-0
CID: 3106720
Formula: C12H10N4O4
MW: 274.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.23
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass274.07020481
Monoisotopic Mass274.07020481
Topological Polar Surface Area144 Ų
Heavy Atom Count20
Formal Charge0
Complexity345
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

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