Grundinformationen
- Standard-SMILES
CCC(C)(C#N)N=NC(C)(C#N)CC- InChIKey
AVTLBBWTUPQRAY-UHFFFAOYSA-N- Summenformel
- C10H16N4
- Durchschnittliche Molmasse
- 192,26 g/mol
- Monoisotopische Masse
- 192,13749651
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 2,2'-Azobis(2-methylbutyronitrile)
- IUPAC
- 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile
- Lokaler Name
- 2,2'-Azobis(2-methylbutyronitril)
- Englischer Name
- 2,2'-Azodi(2-methylbutyronitrile)
- Summenformel
- C10H16N4
- Molmasse
- 192.26
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13472-08-7- PubChem CID
- 93079
- DTXSID
DTXSID8027747- ChEMBL
CHEMBL3182601- UNII
- 5DCY6GCZ6V
- EC Number
- 236-740-8
- Nikkaji
- J248.387D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 72,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 284
Experimentelle und physikochemische Eigenschaften
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
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-52 °C
- Siedepunkt
- 318.25 °C · 318.25°C (rough estimate)
- Dichte
- 1.1 · 1.1
- Dampfdruck
- 0.354 Pa · 0.354Pa at 25℃
- Brechungsindex
- 1.491 · 1.4910 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 392 mg/L · 392mg/L at 20℃
- Henry's Law Constant
- 4.5 · 4.5×104 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Stabilität
- 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 Datenbank
- 13472 · 13472-08-7(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2,2'-Azobis[2-methylbutanenitrile] (13472-08-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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
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.
Sicherheit und Schutzausrüstung
Sicherheitsdaten
- F
- 4.4
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3236 4.1
- hs_code
- 29270000
- RTECS-Nr.
- EK4818750
- risk_code
- 11-22-2017/11/22
- Toxizität
- LD50 orl-rat: 982 mg/kg NTIS** OTS0540633
- hazard_code
- F,Xn
- safety_code
- 47-36/37/39-24/25-16
- hazard_class
- 4.1
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Plastics Material and Resin Manufacturing
Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-: ACTIVE
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