DCAF

CAT: 0804-HY-32247-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-32247-01Size:25 mg

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Description

DCAF is an electron-deficient azaacene and acts as an electron injection material for organic light-emitting diodes[1].

CAS Number

40114-84-9

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Biochemical Assay Reagents

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/dcaf.html

Concentration

10mM

Purity

99.65

Solubility

DMSO : 51.5 mg/mL (ultrasonic; warming)

Smiles

N#CC(N=C(C1=O)C(C2=C1C=CC=C2)=N3)=C3C#N

Molecular Formula

C13H4N4O

Molecular Weight

232.20

Precautions

H302, H315, H319, H335

References & Citations

[1]Bing Yang, et al. Green-synthesized, low-cost tetracyanodiazafluorene (TCAF) as electron injection material for organic light-emitting diodes. November 2019, Pages 1969-1973. Chinese Chemical Letters Communication. Chinese Chemical Letters. Volume 30, Issue 11

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

9-oxo-9H-indeno(1,2-b)pyrazine-2,3-dicarbonitrile

inhibits ubiquitin-specific proteases; structure in first source

CAS Number	40114-84-9
PubChem CID	292929
IUPAC Name	9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Molecular Formula	C13H4N4O
Molecular Weight	232.20
XLogP	1.4
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	470

SMILES

C1=CC=C2C(=C1)C3=NC(=C(N=C3C2=O)C#N)C#N

InChI

InChI=1S/C13H4N4O/c14-5-9-10(6-15)17-12-11(16-9)7-3-1-2-4-8(7)13(12)18/h1-4H

InChIKey

HUWWIHVYVDAXCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40114-84-9

CID: 292929

Formula: C13H4N4O

MW: 232.20

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	232.20
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	232.03851076
Monoisotopic Mass	232.03851076
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	470
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

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