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Azobisisobutyronitrile
CAS: 78-67-1 | C8H12N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-67-1
Molecular Formula:
C8H12N4
Molecular Mass:
164.21 g/mol
Names and Synonyms:
Azobisisobutyronitrile
Propanenitrile, 2,2′-(1,2-diazenediyl)bis[2-methyl-
Propionitrile, 2,2′-azobis[2-methyl-
Propanenitrile, 2,2′-azobis[2-methyl-
2,2′-(1,2-Diazenediyl)bis[2-methylpropanenitrile]
Aceto AZIB
α,α′-Azobis(isobutyronitrile)
2,2′-Azobis[isobutyronitrile]
α,α′-Azodiisobutyronitrile
2,2′-Azodiisobutyronitrile
Azobisisobutyronitrile
Azodiisobutyronitrile
α,α′-Azodiisobutyric acid dinitrile
AIBN
AZDH
2,2′-Azobis(2-methylpropionitrile)
Porofor N
Pianofor An
Vazo 64
2,2′-Dimethyl-2,2′-azodipropionitrile
ChKhZ 57
N,N′-Bis(2-cyano-2-propyl)diazene
Genitron AZDN-FF
2,2′-Azobis[2-methylpropanenitrile]
Genitron AZDN
AZDN
ChKhE 57
N,N′-Azobis(isobutyronitrile)
V 60 (polymerization catalyst)
V 60
Porofor ChKhZ 57
Perkadox AIBN
KB-P 13
2,2′-Azobis(2-cyanopropane)
KE-P 13
ME 800
NSC 1496
NSC 68042
ABN-R
Peroxan AZDN
α,α′-Azoisobutyronitrile
ABIN
Identifiers:
SMILES:
CC(C)(C#N)N=NC(C)(C)C#N
InChI:
InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
Key Properties
Boiling Point
>260 °C
CAS Common Chemistry
Melting Point
105 °C
CAS Common Chemistry
Density
0.80 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.21 g/mol | CAS Common Chemistry |
| 164.21200000000002 g/mol | RDKit | |
| 164.106196384 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8003 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Azobisisobutyronitrile | CAS Common Chemistry |
| Boiling Point | >260 °C | CAS Common Chemistry |
| Canonical SMILES | N#CC(N=NC(C#N)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OZAIFHULBGXAKX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | Azobisisobutyronitrile | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | 2.04296 | RDKit |
| Molar Refractivity | 44.24000000000002 | RDKit |
