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1,1'-Azodicyclohexanecarbonitrile

CAT: 0286-A37140-03Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-A37140-03Size:100 g
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CAS Number
2094-98-6
Synonyms
1,1'-Azobis (cyclohexanecarbonitrile) ; 1,1'-Azobis (cyanocyclohexane) ; ACHN; ABCN; VAZO™ catalyst 88 free radical source
UN Code
UN3226
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00046334
Hazard Statement
H242 Heating may cause a fire; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Self-Reactive Solid Type D
DOT Classification
Class 4.1
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P220 Keep/Store away from clothing/…/combustible materials; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool; P420 Store away from other materials.

Chemical Information

1,1'-Azobis(cyclohexanecarbonitrile)

1,1'-azodi-(hexahydrobenzonitrile) appears as 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.

CAS Number2094-98-6
PubChem CID74978
IUPAC Name1-[(1-cyanocyclohexyl)diazenyl]cyclohexane-1-carbonitrile
Molecular FormulaC14H20N4
Molecular Weight244.34
XLogP3.4
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity368
SMILES
C1CCC(CC1)(C#N)N=NC2(CCCCC2)C#N
InChI
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
InChIKey
KYIKRXIYLAGAKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-Azobis(cyclohexanecarbonitrile)
CAS: 2094-98-6
CID: 74978
Formula: C14H20N4
MW: 244.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.34
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass244.16879665
Monoisotopic Mass244.16879665
Topological Polar Surface Area72.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity368
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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