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Disperse Orange 1 (>85%)

CAT: 0572-TRC-D495333-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D495333-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2581-69-3
Hazard Statement
May cause an allergic skin reaction
Smiles
[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(Nc3ccccc3)cc2
Molecular Formula
C18 H14 N4 O2
Molecular Weight
318.33
InChI
InChI=1S/C18H14N4O2/c23-22(24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H/b21-20+
Additionnal Information
IUPAC name: 4-[(E)-(4-nitrophenyl)diazenyl]-N-phenylaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Disperse Orange 1

See also: Disperse Orange 1 (annotation moved to).

CAS Number2581-69-3
PubChem CID17414
IUPAC Name4-[(4-nitrophenyl)diazenyl]-N-phenylaniline
Molecular FormulaC18H14N4O2
Molecular Weight318.3
XLogP5.5
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity415
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N4O2/c23-22(24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H
InChIKey
YFVXLROHJBSEDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disperse Orange 1
CAS: 2581-69-3
CID: 17414
Formula: C18H14N4O2
MW: 318.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.3
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass318.11167570
Monoisotopic Mass318.11167570
Topological Polar Surface Area82.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity415
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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