4-Ethenylbenzonitrile

HCID 76967CAS 3435-51-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: C=Cc1ccc(C#N)cc1
InChIKey: SNTUCKQYWGHZPK-UHFFFAOYSA-N
Summenformel: C9H7N
Durchschnittliche Molmasse: 129,16 g/mol
Monoisotopische Masse: 129,05784922

Namen und Bezeichner

Bevorzugter Name: 4-Ethenylbenzonitrile
IUPAC: 4-ethenylbenzonitrile
Englischer Name: 4-Cyanostyrene
Summenformel: C9H7N
Molmasse: 129.16

Namen und Synonyme

4-EthenylbenzonitrileRefChem:5225684-Cyanostyrene3435-51-64-VinylbenzonitrileBenzonitrile, 4-ethenyl-p-CyanostyreneBenzonitrile, p-vinyl-MFCD000804454-vinyl-benzonitrile4-Cyanostyrene, AldrichCPRSCHEMBL127502

Weitere Namen anzeigen

PARA-CYANOSTYRENE4-CYANOSTYRENE 95%4-Cyanostyrene ,95%4-ethenyl-benzonitril

SCHEMBL13333326DTXSID60187922AKOS025116713AS-56582D7698924936-57-0p-Vinylbenzonitrile4-vinylbenzenecarbonitrile

Datenbank-Bezeichner

CAS: 3435-51-6
PubChem CID: 76967
DTXSID: DTXSID60187922
EC Number: 678-723-1
Nikkaji: J330.022F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Siedepunkt: 56 · 56-58 °C (10 mmHg)
Dichte: 1.0746 · 1.0746 (rough estimate)
Brechungsindex: 1.5765 · 1.5765-1.5785
Flammpunkt: 92 · 92-93°C/3mm
storage temp.: Freezer (-20°C)
Aggregatzustand: Liquid
Farbe: Clear colorless to very slightly yellow
Wasserlöslichkeit: Immiscible with water.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (85.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

ridadr: 3276
hs_code: 29269090
risk_code: 23/24/25-36/37/38-23-21/22
hazard_code: T
safety_code: 45-36/37-26
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen

Verwenden4-Cyanostyrene is used as an intermediate in organic synthesis. It is used in the preparation of poly(4-cyanostyrene) polymer , which is a macromolecular device having nanoscale order and finds a wide range of potential applications.