Basic information
- Standard SMILES
CCC(C)(C#N)N=NC(C)(C#N)CC- InChIKey
AVTLBBWTUPQRAY-UHFFFAOYSA-N- Molecular formula
- C10H16N4
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.13749651
Overview
2,2'-azodi-(2-methylbutyronitrile) appears as an odorless white powdered solid. May burst into flames upon exposure to fire or high heat. Dust may form an explosive mixture in air.
Names & identifiers
- Preferred name
- 2,2'-Azobis(2-methylbutyronitrile)
- IUPAC
- 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile
- English name
- 2,2'-Azodi(2-methylbutyronitrile)
- Molecular formula
- C10H16N4
- Molecular weight
- 192.26
Names & synonyms
13472-08-72,2'-Azobis(2-methylbutyronitrile)2,2'-Azobis(2-methylbutanenitrile)Butanenitrile, 2,2'-azobis[2-methyl-DTXSID8027747Butanenitrile, 2,2'-azobis(2-methyl-5DCY6GCZ6V2,2'-azobis[2-methylbutyronitrile]EINECS 236-740-82,2'-azobis(2-cyanobutane)Butyronitrile, 2,2'-azobis(2-methyl-EC 236-740-8
Show more names
AMBNv59butyronitriLABMNVAZO6vazo6799.18%AMBM-67vazo64-a
2,2'-Azobis[2-methylbutanenitrile]Butanenitrile, 2,2'-(1,2-diazenediyl)bis(2-methyl-2,2'-dimethyl-2,2'-azodibutyronitrile2,2'-AZOBIS(.ALPHA.-METHYLBUTYRONITRILE)2,2'-(1,2-DIAZENEDIYL)BIS(2-METHYLBUTANENITRILE)Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-RefChem:440196DTXCID00809994
Database identifiers
- CAS
13472-08-7- PubChem CID
- 93079
- DTXSID
DTXSID8027747- ChEMBL
CHEMBL3182601- UNII
- 5DCY6GCZ6V
- EC Number
- 236-740-8
- Nikkaji
- J248.387D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
Physical Description
2,2'-azodi-(2-methylbutyronitrile) appears as an odorless white powdered solid. May burst into flames upon exposure to fire or high heat. Dust may form an explosive mixture in air.
Large Crystals; CBI
Physicochemical properties
- Melting point
- 49 · 49-52 °C
- Boiling point
- 318.25 °C · 318.25°C (rough estimate)
- Density
- 1.1 · 1.1
- vapor pressure
- 0.354 Pa · 0.354Pa at 25℃
- refractive index
- 1.491 · 1.4910 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 392 mg/L · 392mg/L at 20℃
- Henry's Law Constant
- 4.5 · 4.5×104 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Stability
- Explosive. Risk of explosion if struck, ground or heated. Highly flammable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3
- InChIKey
- AVTLBBWTUPQRAY-UHFFFAOYSA-N
- SMILES
- N(C(C)(CC)C#N)=NC(C)(CC)C#N
- LogP
- 2.07 at · 2.07 at 20℃
- CAS DataBase Reference
- 13472 · 13472-08-7(CAS DataBase Reference)
- FDA UNII
- 5 DCY6GCZ6V · 5DCY6GCZ6V
- EPA Substance Registry System
- 2 · 2,2'-Azobis[2-methylbutanenitrile] (13472-08-7)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 242 · H242-H302
- Precautionary statements
- 210 · P210-P234-P235-P240-P280-P264-P270-P370+P378-P301+P312-P330-P403-P411-P420-P501
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-22-2017/11/22
- Safety Statements
- 47 · 47-36/37/39-24/25-16
- RIDADR
- 3236 · UN 3236 4.1
- WGK Germany
- 1 · 1
- RTECS
- 4818750 · EK4818750
- F
- 4.4 · 4.4
- TSCA
- TSCA listed
- HazardClass
- 4.1 · 4.1
- PackingGroup
- II
- HS Code
- 29270000 · 29270000
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 982 mg/kg NTIS** OTS0540633
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (6 of 990) of reports.
Danger
H225 (17.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 990 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butanenitrile, 2,2'-azobis[2-methyl-
Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 08-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5486
Butanenitrile, 2-methyl, 2,2 azorbis: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Butanenitrile, 2,2'-azobis[2-methyl-: Human health tier I assessment
DOT LabelFlammable Solid
Fire HazardsExcerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:
Health HazardsExcerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Reactivity AlertsExplosive
Reactivity Profile
Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. Self-accelerating decomposition may occur if the specific control temperature is not maintained. 2,2'-AZODI-(2-METHYLBUTYRONITRILE) 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 and Water ReactionsDust may form an explosive mixture in air. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 2 (17.8%)
Safety & protection
Fire FightingExcerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:
First AidExcerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:
Nonfire Spill ResponseExcerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:
Isolation and EvacuationExcerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:
Safety data
- F
- 4.4
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- EK4818750
- ridadr
- UN 3236 4.1
- hs_code
- 29270000
- Toxicity
- LD50 orl-rat: 982 mg/kg NTIS** OTS0540633
- risk_code
- 11-22-2017/11/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 47-36/37/39-24/25-16
- hazard_class
- 4.1
- packing_group
- II
- Hazard statements
- H242-H302
- REACH Registrations
- Active
- Precautionary statements
- P210-P234-P235-P240-P280-P264-P270-P370+P378-P301+P312-P330-P403-P411-P420-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesChain transfer agent
General Manufacturing Information
Plastics Material and Resin Manufacturing
Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-: ACTIVE
Applications
Uses2,2'-Azodi(2-methylbutyronitrile) is used in biochemical reagents, polymer initiators, surfactants, etc.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
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Related reactions
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