CAS 1547296-70-7 2,2'-Azobis(2,4-dimethylvaleronitrile) (HCID 91537)

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Basic information

CAS: 1547296-70-7
Standard SMILES: CC(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)C
InChIKey: WYGWHHGCAGTUCH-UHFFFAOYSA-N
Molecular formula: C14H24N4
Average molar mass: 248.37 g/mol
Monoisotopic mass: 248.20009677

Overview

See also: 2,2'-Azobis(2,4-dimethylvaleronitrile) (annotation moved to); 2,2'-Azodi-(2,4-dimethylvaleronitrile) (annotation moved to); a,a'-Azobisdimethylvalerylnitrile~ (annotation moved to).

Names & identifiers

Preferred name: 2,2'-Azobis(2,4-dimethylvaleronitrile)
IUPAC: 2-[(2-cyano-4-methylpentan-2-yl)diazenyl]-2,4-dimethylpentanenitrile
English name: 2,2'-Azobis(2,4-dimethyl)valeronitrile
Molecular formula: C14H24N4
Molecular weight: 248.37

Names & synonyms

2,2'-Azobis(2,4-dimethylvaleronitrile)4419-11-82,2'-Azobis(2,4-dimethyl)valeronitrileADVN2-[(2-cyano-4-methylpentan-2-yl)diazenyl]-2,4-dimethylpentanenitrile2,2'-azobis[2,4-dimethylvaleronitrile]2,2'-Azobis(2,4-dimethylpentanenitrile)1547296-70-702830LWZ4X2-[(1E)-2-(1-cyano-1,3-dimethylbutyl)diazen-1-yl]-2,4-dimethylpentanenitrilePentanenitrile, 2,2'-azobis(2,4-dimethyl-2-[2-(1-CYANO-1,3-DIMETHYLBUTYL)DIAZEN-1-YL]-2,4-DIMETHYLPENTANENITRILE

Show more names

ABVNV-652,2’-azobisisoheptonitrile2,2'-AzobisisoheptonitrilePentanenitrile, 2,2'-(1,2-diazenediyl)bis[2,4-dimethyl-Vaso 52ADVN-52

2,2'-(Diazene-1,2-diyl)bis(2,4-dimethylpentanenitrile)Pentanenitrile, 2,2'-(1,2-diazenediyl)bis(2,4-dimethyl-2,2'-Azobis[2,4-dimethylpentanenitrile]AMVNEINECS 224-583-8ABDV2,2-azobis(2,4-dimethylvaleronitrile)SCHEMBL14897

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 72.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 355

Physicochemical properties

Melting point: 45 · 45-70°C
Boiling point: 330.6 · 330.6±27.0 °C(Predicted)
Density: 0.93 · 0.93±0.1 g/cm3(Predicted)
vapor pressure: 0.812 Pa · 0.812Pa at 20℃
storage temp.: -20 °C · -20°C Freezer
solubility: Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
form: Solid
color: White to Off-White
Water Solubility: 9.37 mg/L · 9.37mg/L at 20℃
InChI: InChI=1S/C14H24N4/c1-11(2)7-13(5,9-15)17-18-14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3
InChIKey: WYGWHHGCAGTUCH-UHFFFAOYSA-N
SMILES: N(C(C)(CC(C)C)C#N)=NC(C)(CC(C)C)C#N
LogP: 3.37 at · 3.37 at 25℃
CAS DataBase Reference: 4419 · 4419-11-8(CAS DataBase Reference)
FDA UNII: 2830 LWZ4X · 02830LWZ4X

Safety & regulation

Safety data

tsca: TSCA listed
ridadr: UN 2953
hs_code: 29270000
risk_code: 2017/11/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 16-22-24/25-36/37/39-45
hazard_class: 4.1
packing_group: II
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313

Chemistry & industry

Applications · 2 items

Uses2,2'-azobis(2,4-dimethyl)valeronitrile is widely used in PVC suspension polymerization, it is also used as polyacrylonitrile, polyvinyl alcohol polymer composite materials such as plexiglass efficient initiator, also used as rubber, plastic foam.

General DescriptionAn odorless white solid. May burst into flames upon exposure to fire or high heat. Dust may form an explosive mixture in air.