Cyclopropancarbonitril

Cyclopropanecarbonitrile

HCID 79637CAS 5500-21-0

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Grundinformationen

Standard-SMILES: N#CC1CC1
InChIKey: AUQDITHEDVOTCU-UHFFFAOYSA-N
Summenformel: C4H5N
Durchschnittliche Molmasse: 67,09 g/mol
Monoisotopische Masse: 67,04219916

Überblick

Cyclopropyl cyanide is a nitrile.

Namen und Bezeichner

Bevorzugter Name: Cyclopropanecarbonitrile
IUPAC: cyclopropanecarbonitrile
Lokaler Name: Cyclopropancarbonitril
Englischer Name: Cyclopropanecarbonitrile
Summenformel: C4H5N
Molmasse: 67.09

Namen und Synonyme

Cyclopropanecarbonitrile5500-21-0Cyclopropyl cyanideCyanocyclopropaneCyclopropylnitrileCyclopropanenitrileAFU99GZS5DNSC-60191DTXSID1063936RefChem:129928DTXCID8041824226-836-8

Weitere Namen anzeigen

CPCNCipronitrileopropanecarbonitriLCYCLOPROPANE CYANIDE

1-CyanocyclopropaneMFCD00001269cyclopropancarbonitrilEINECS 226-836-8NSC 60191cyclopropankohlenitrilecyclopropylcarbonitrilecyclopropane carbonitrile

Datenbank-Bezeichner

CAS: 5500-21-0
PubChem CID: 79637
DTXSID: DTXSID1063936
ChEBI: CHEBI:234499
UNII: AFU99GZS5D
EC Number: 226-836-8
Nikkaji: J81.050I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 72,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesCoriolis coupling

LogP0.29

Vapor Pressure13.0 [mmHg]

Physical DescriptionColorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Siedepunkt: 135 °C · 135 °C (lit.)
Dichte: 0.911 g/mL · 0.911 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.421(lit.)
Flammpunkt: 91 °F · 91 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Liquid
Wichte: 0.905 · 0.905
Farbe: Clear colorless to faintly yellow
Wasserlöslichkeit: Miscible with water.
BRN: 635790 · 635790
InChI: 1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2
InChIKey: AUQDITHEDVOTCU-UHFFFAOYSA-N
SMILES: N#CC1CC1
CAS Datenbank: 5500 · 5500-21-0(CAS DataBase Reference)
NIST chemische Informationen: Cyclopropanecarbonitrile(5500-21-0)
EPA chemische Informationen: Cyclopropanecarbonitrile (5500-21-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryAn irritant; Can be absorbed through skin; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesFlam. Liq. 3 (98%)

Toxikologische Informationen

Adverse EffectsOther Poison - Chemical Asphyxiant

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3275 6.1/PG 2
hs_code: 29269095
risk_code: 10-23/24/25-36/37/38
hazard_code: T,F
safety_code: 23-26-36/37-45-36/37/39-16-7/9
hazard_class: 6.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3