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2,2'-Azobis(2-methylbutyronitril)

2,2'-Azobis(2-methylbutyronitrile)

HCID 93079
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Grundinformationen

CAS
13472-08-7
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

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS

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 Einträge

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

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 5 Einträge

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)]:

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesChain transfer agent
General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-: ACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Hydrazinium hydroxide solutionNatriumcyanid2-Amino-2-methylbutyronitril

Zugehörige Reaktionen

28
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 8561
HRID 8561als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 23004
HRID 23004als Eduktuspto-grants-2005_02
Reaktionsgleichung von HRID 350591
HRID 350591als Eduktuspto-grants-2007_02
Reaktionsgleichung von HRID 366965
HRID 366965als Eduktuspto-grants-2000_10
Reaktionsgleichung von HRID 368963
HRID 368963als Eduktuspto-grants-2000_10
Reaktionsgleichung von HRID 464114
HRID 464114als Produktuspto-grants-1985_10
Reaktionsgleichung von HRID 910568
HRID 910568als Eduktuspto-grants-2011_09
Reaktionsgleichung von HRID 982902
HRID 982902als Katalysatoruspto-grants-2005_03
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Neue NotizNeue ReaktionAnfrage stellen
13472-08-7
PubChem CID
93079
DTXSID
DTXSID8027747
ChEMBL
CHEMBL3182601
UNII
5DCY6GCZ6V
EC Number
236-740-8
Nikkaji
J248.387D
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)
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Reactivity AlertsExplosive
Reactivity Profile · 1 Eintrag

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%)

Sicherheit und Schutzausrüstung

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)]:

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