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2094-98-6

2094-98-6 Structure

2094-98-6 Structure
IdentificationMore
[Name]

1,1'-Azobis(cyanocyclohexane)
[CAS]

2094-98-6
[Synonyms]

1,1'-AZOBIS CYANOCYCLOHEXANE
1,1'-AZOBIS(CYCLOHEXANE-1-CARBONITRILE)
1,1'-AZOBIS(CYCLOHEXANECARBONITRILE)
1,1'-AZODICYCLOHEXANE CARBONITRILE
1,1′-Azodi-(hexahydrobenzonitrile)
AZO-1-CYANOCYCLOHEXANE
LABOTEST-BB LT00160148
VAZO(R) CATALYST 88 FREE RADICAL SOURCE
1,1’-azobis-cyclohexanecarbonitril
Azodicyclohexanonitrile
VAZO? catalyst 88 free radical source
1,1'-azobis(1-cyclohexanecarbonitrile)
1,1'-AZOBIS(CYCLOHEXANECARBONITRILE), 98 %
Azobis-(1-cyclohexanecarbonitrile)
Cyclohexanecarbonitrile, 1,1-azobis-
1,1''-Azobis-(1-cyanocyclohexane)
1,1-AZODICYCLOHEXANECARBONITRILE 98%
1,1’-Azobis(cyclohexane-1-carbonitrile) (V-40)
1,1μ-Azobis(cyanocyclohexane), VAZO(R) catalyst 88 free radical source
1-(1-Cyanocyclohexyl)diazenylcyclohexane-1-carbonitrile
[EINECS(EC#)]

218-254-8
[Molecular Formula]

C14H20N4
[MDL Number]

MFCD00046334
[Molecular Weight]

244.34
[MOL File]

2094-98-6.mol
Chemical PropertiesBack Directory
[Appearance]

faintly beige crystalline powder
[Melting point ]

114-118 °C(lit.)
[Boiling point ]

423.9±38.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[vapor pressure ]

0-0.001Pa at 20-25℃
[storage temp. ]

2-8°C
[form ]

Solid:crystalline
[Stability:]

Stable, but decomposes exothermically above about 114 C
[BRN ]

960744
[InChI]

1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2/b18-17+
[InChIKey]

KYIKRXIYLAGAKQ-ISLYRVAYSA-N
[SMILES]

N#CC1(CCCCC1)\N=N\C2(CCCCC2)C#N
[LogP]

3.256 at 25℃ and pH5-6
[CAS DataBase Reference]

2094-98-6(CAS DataBase Reference)
[EPA Substance Registry System]

2094-98-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H242-H315-H319-H335
[Precautionary statements ]

P210-P235-P302+P352-P305+P351+P338-P370+P378-P403
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 3226 4.1
[WGK Germany ]

3
[F ]

4.9
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

4.1
[PackingGroup ]

II
[Storage Class]

5.2 - Organic peroxides and self-reacting hazardous materials
[Hazard Classifications]

Eye Irrit. 2
Self-react. D
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[General Description]

A white to light colored solid substance. Insoluble in water and more dense that water. May cause irritation to skin, eyes, and mucous membranes. May be toxic by ingestion. If exposed to high temperatures or flames this material may ignite and burn with an intense flame. Dust may form an explosive mixture in air.
[Reactivity Profile]

Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. May be ignited by heat, sparks or flames. 1,1'-AZODI-(HEXAHYDROBENZONITRILE)(2094-98-6) is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides.
[Air & Water Reactions]

Dust may form an explosive mixture in air. Insoluble in water.
[Health Hazard]

Fire may produce irritating and/or toxic gases. Contact may cause burns to skin and eyes. Contact with molten substance may cause severe burns to skin and eyes. Runoff from fire control may cause pollution.
[Fire Hazard]

Flammable/combustible material. May be ignited by friction, heat, sparks or flames. Some may burn rapidly with flare burning effect. Powders, dusts, shavings, borings, turnings or cuttings may explode or burn with explosive violence. Substance may be transported in a molten form at a temperature that may be above its flash point. May re-ignite after fire is extinguished.
[Chemical Properties]

faintly beige crystalline powder
[Uses]

A more efficient radical initiator than AIBN has been employed to initiate primary radical reactions.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 71, p. 2661, 1949 DOI: 10.1021/ja01176a018
Organic Syntheses, Coll. Vol. 4, p. 66, 1963
[Purification Methods]

Purify the nitrile by dissolving it in boiling 95%EOH as rapidly as possible, cool overnight at 0o, filter, wash with a little EtOH and dry it in a vacuum desiccator over CaCl2. Note that prolonged heating >80o causes decomposition. Recrystallise it from EtOH. It should be regarded as potentially explosive. It is a radical initiator. [Overberger et al. Org Synth Coll Vol IV 66 1963, Beilstein 16 II 97.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,1'-Azodi(hexahydrobenzonitrile)(2094-98-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1,1'-Azobis(cyanocyclohexane)(2094-98-6)MS
1,1'-Azobis(cyanocyclohexane)(2094-98-6)1HNMR
1,1'-Azobis(cyanocyclohexane)(2094-98-6)13CNMR
1,1'-Azobis(cyanocyclohexane)(2094-98-6)IR1
1,1'-Azobis(cyanocyclohexane)(2094-98-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2094-98-6(sigmaaldrich)
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