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1,1′-Azobis(cyclohexane-1-carbonitrile)

1,1′-Azobis(cyclohexane-1-carbonitrile) structure

1,1′-Azobis(cyclohexane-1-carbonitrile) 

structure
  • CAS No:

    2094-98-6

  • Formula:

    C14H20N4

  • Chemical Name:

    1,1′-Azobis(cyclohexane-1-carbonitrile)

  • Synonyms:

    Cyclohexanecarbonitrile,1,1′-(1,2-diazenediyl)bis-;Cyclohexanecarbonitrile,1,1′-azodi-;Cyclohexanecarbonitrile,1,1′-azobis-;1,1′-Azobis[cyclohexanecarbonitrile];1,1′-Azobis(cyclohexanenitrile);1,1′-Azodicyclohexanecarbonitrile;1-Azo-1-cyanocyclohexane;Azobis(1-cyanocyclohexane);1,1′-Azobis[1-cyanocyclohexane];1,1′-Azobis(1-cyclohexanecarbonitrile);Azocyclohexane-1,1′-dinitrile;Vazo 88;V 40;V 40 (initiator);1,1′-Azodi(hexahydrobenzonitrile);N,N-Azobis(cyclohexanecarbonitrile);ACHN;1,1′-Azobis(cyclohexane-1-carbonitrile);ACCN;1,1′-Azobis(cyanocyclohexane);V 88;95210-42-7

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

faintly beige crystalline powder


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.|PelletsLargeCrystals


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.

1,1′-Azobis(cyclohexane-1-carbonitrile) Basic Attributes

244.34

244.34

218-254-8

9Y0B93KKUS

1325

DTXSID9044613

2927000090

Characteristics

72.3

2.84

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.

1.1±0.1 g/cm3

116 °C

423.9±38.0 °C at 760 mmHg

210.2±26.8 °C

1.595

2-8°C

Dust may form an explosive mixture in air. Insoluble in water.

Azo, Diazo, Azido, Hydrazine, and Azide Compounds

Explosive

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) 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.

Safety Information

II

4.1

UN 3226 4.1

3

11-36/37/38

26

F,Xi

Stable, but decomposes exothermically above about 114 C

P261-P305 + P351 + P338

H242-H315-H319-H335

Excerpt from ERG Guide 133 [Flammable Solids]: 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. (ERG, 2016)

|Warning|H242 (97.78%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]|P210, P220, P234, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P411, P420, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Excerpt from ERG Guide 133 [Flammable Solids]: SMALL FIRE: Dry chemical, CO2, sand, earth, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Move containers from fire area if you can do it without risk. Fire Involving Metal Pigments or Pastes (e.g. "Aluminum Paste") Aluminum Paste fires should be treated as a combustible metal fire. Use DRY sand, graphite powder, dry sodium chloride-based extinguishers, G-1® or Met-L-X® powder. Also, see ERG Guide 170. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Cool containers with flooding quantities of water until well after fire is out. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. (ERG, 2016)

Excerpt from ERG Guide 133 [Flammable Solids]: As an immediate precautionary measure, isolate spill or leak area for at least 25 meters (75 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 100 meters (330 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 133 [Flammable Solids]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch or walk through spilled material. SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover loosely; move containers from spill area. LARGE SPILL: Wet down with water and dike for later disposal. Prevent entry into waterways, sewers, basements or confined areas. (ERG, 2016)

Excerpt from ERG Guide 133 [Flammable Solids]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)

Drug Information

Excerpt from ERG Guide 133 [Flammable Solids]: 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. (ERG, 2016)

Excerpt from ERG Guide 133 [Flammable Solids]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Removal of solidified molten material from skin requires medical assistance. Keep victim calm and warm. (ERG, 2016)

1,1′-Azobis(cyclohexane-1-carbonitrile) Use and Manufacturing

Uses

A more intense polymer initiator than AIBN is used to initiate the primary free radical reaction.


Process regulators

Paint and coating manufacturing|Cyclohexanecarbonitrile, 1,1'-azobis-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:244.34
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:244.16879665
Monoisotopic Mass:244.16879665
Topological Polar Surface Area:72.3
Heavy Atom Count:18
Complexity:368
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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