Cyancyclobutan

Cyanocyclobutane

HCID 78148CAS 4426-11-3

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Grundinformationen

Standard-SMILES: N#CC1CCC1
InChIKey: GFBLFDSCAKHHGX-UHFFFAOYSA-N
Summenformel: C5H7N
Durchschnittliche Molmasse: 81,12 g/mol
Monoisotopische Masse: 81,05784922

Namen und Bezeichner

Bevorzugter Name: Cyanocyclobutane
IUPAC: cyclobutanecarbonitrile
Lokaler Name: Cyancyclobutan
Englischer Name: Cyclobutanecarbonitrile
Summenformel: C5H7N
Molmasse: 81.12

Namen und Synonyme

CyclobutanecarbonitrileCyanocyclobutane4426-11-3Cyclobutyl cyanideEINECS 224-606-1DTXSID30196086RefChem:129048DTXCID40118577224-606-1GFBLFDSCAKHHGX-UHFFFAOYSA-NInChI=1/C5H7N/c6-4-5-2-1-3-5/h5H,1-3HMFCD00013735

Weitere Namen anzeigen

CyclobutyronitrileCyclobutadiene nitrileCyclobutanecarbonitrile,97%Cyclobutanecarbonitrile - C5653Cyanocyclobutane~Cyclobutyl cyanideCyanocyclobutane ISO 9001：2015 REACHCyclobutanecarbonitrile (6CI, 7CI, 8CI, 9CI, ACI)

cyclobutane carbonitrileBCP21734cyclobutanecarbonitrile, AldrichCPRAKOS009158004Z406694072cyclobutancarbonicyclobutancarbonitrileCyanocyclobutane;Cyclobutanecarbonitrile

Datenbank-Bezeichner

CAS: 4426-11-3
PubChem CID: 78148
DTXSID: DTXSID30196086
EC Number: 224-606-1
Nikkaji: J205.803K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 83,4

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling

Physikochemische Eigenschaften

Siedepunkt: 144 · 144-146°C
Dichte: 0 · 0,868 g/cm3
Brechungsindex: 1.4325 · 1.4325
Flammpunkt: 42 °C · 42°C
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
Wasserlöslichkeit: Slightly soluble in water.
BRN: 2037573 · 2037573
InChI: InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2
InChIKey: GFBLFDSCAKHHGX-UHFFFAOYSA-N
SMILES: C1(C#N)CCC1
CAS Datenbank: 4426 · 4426-11-3(CAS DataBase Reference)
NIST chemische Informationen: Cyclobutanecarbonitrile(4426-11-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (88.9%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 3275
hs_code: 2926907090
risk_code: 11-20/21/22-36-25
hazard_code: T
safety_code: 3/7-9-16-36/37/39-45-26
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2