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Disperse Yellow 9 (Technical Grade)

CAT: 0572-TRC-D995360-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D995360-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6373-73-5
Hazard Statement
May cause an allergic skin reaction
Purity
>95% (HPLC)
Smiles
Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1
Molecular Formula
C12 H10 N4 O4
Molecular Weight
274.23
InChI
InChI=1S/C12H10N4O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2
Additionnal Information
IUPAC name: 1-N-(2,4-dinitrophenyl)benzene-1,4-diamine
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

1,4-Benzenediamine, N1-(2,4-dinitrophenyl)-

Disperse yellow 9 is a nitroaniline.

CAS Number6373-73-5
PubChem CID4267574
IUPAC Name4-N-(2,4-dinitrophenyl)benzene-1,4-diamine
Molecular FormulaC12H10N4O4
Molecular Weight274.23
XLogP3.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity359
SMILES
C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2
InChIKey
JMDHCJDATBJFJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Benzenediamine, N1-(2,4-dinitrophenyl)-
CAS: 6373-73-5
CID: 4267574
Formula: C12H10N4O4
MW: 274.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.23
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass274.07020481
Monoisotopic Mass274.07020481
Topological Polar Surface Area130 Ų
Heavy Atom Count20
Formal Charge0
Complexity359
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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