2-Methylenglutaronitril

2,4-Dicyano-1-butene

HCID 74080

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Grundinformationen

CAS: 1572-52-7
Standard-SMILES: C=C(C#N)CCC#N
InChIKey: NGCJVMZXRCLPRQ-UHFFFAOYSA-N
Summenformel: C6H6N2
Durchschnittliche Molmasse: 106,13 g/mol
Monoisotopische Masse: 106,05309819

Namen und Bezeichner

Bevorzugter Name: 2,4-Dicyano-1-butene
IUPAC: 2-methylidenepentanedinitrile
Lokaler Name: 2-Methylenglutaronitril
Englischer Name: 2-Methyleneglutaronitrile
Summenformel: C6H6N2
Molmasse: 106.13

Namen und Synonyme

2-Methyleneglutaronitrile2-Methylenepentanedinitrile1572-52-7Methylene glutaronitrile2,4-Dicyano-1-butenePentanedinitrile, 2-methylene-Glutaronitrile, 2-methylene-2-MethyleneglutarodinitrileDTXSID2027418EINECS 216-391-8.alpha.-Methyleneglutaronitrile.alpha.-Methyleneglutarodinitrile

Weitere Namen anzeigen

2,4-Dicyanobutene-1acrylonitrile dimer2-Methylenepentanedinitri2,4-Pentanedicarbonitrile2-methylene-pentanedinitril3-Butene-1,3-dicarbonitrile

0Y85F7Y2B8DTXCID007418METHYLENEGLUTARONITRILE, 2-.ALPHA.-CYANOETHYLACRYLONITRILEalpha-Methyleneglutaronitrilealpha-MethyleneglutarodinitrileRefChem:443503alpha-cyanoethylacrylonitrile

Datenbank-Bezeichner

CAS: 1572-52-7
PubChem CID: 74080
DTXSID: DTXSID2027418
ChEMBL: CHEMBL3182918
UNII: 0Y85F7Y2B8
EC Number: 216-391-8
Nikkaji: J27.805J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 47,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Schmelzpunkt: 9.6 °C · −9.6 °C(lit.)
Siedepunkt: 254 °C · 254 °C(lit.)
Dichte: 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.456(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
CAS Datenbank: 1572 · 1572-52-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pentanedinitrile, 2-methylene-(1572-52-7)
EPA chemische Informationen: 2 · Pentanedinitrile, 2-methylene- (1572-52-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 46.8% (37 of 79) of reports.

Warning

H302 (49.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (49.4%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3276 6.1/PG 3
hs_code: 2926907090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPentanedinitrile, 2-methylene-: ACTIVE

Anwendungen

Beschreibung2-Methyleneglutaronitrile [1572-52-7], acrylonitrile dimer, 2,4-dicyano-1-butene, 2- methylenepentanedinitrile, NCC2H4C (=CH2) CN, is a colorless liquid slightly miscible with water, ethanol, acetone and benzene, immiscible with hexane.

VerwendenVinyl monomer for polymerization and copoly-merization, intermediate in making fibers and phar-maceuticals.