Undecanonitril

Undecanenitrile

HCID 16722CAS 2244-07-7

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Grundinformationen

Standard-SMILES: CCCCCCCCCCC#N
InChIKey: SZKKNEOUHLFYNA-UHFFFAOYSA-N
Summenformel: C11H21N
Durchschnittliche Molmasse: 167,29 g/mol
Monoisotopische Masse: 167,16739967

Namen und Bezeichner

Bevorzugter Name: Undecanenitrile
IUPAC: undecanenitrile
Lokaler Name: Undecanonitril
Englischer Name: UNDECANENITRILE
Summenformel: C11H21N
Molmasse: 167.29

Namen und Synonyme

UNDECANENITRILE1-CyanodecaneUndecanonitrileDecyl Cyaniden-Undecanonitrilen-Decyl cyanidehendecanenitrileBQC7C2WO2KUndecanoic acid nitrile1-DECYL CYANIDENSC-4026UNII-BQC7C2WO2K

Weitere Namen anzeigen

NISTC2244077n-HendecanonitrileN-UNDECANONITRILE 95+%UNDECANOIC ACID NITRILE 97%

DTXSID3062289NSC 4026EINECS 218-826-7AI3-28302nUndecanonitrile1CyanodecaneRefChem:193081DTXCID4036697

Datenbank-Bezeichner

CAS: 2244-07-7
PubChem CID: 16722
DTXSID: DTXSID3062289
UNII: BQC7C2WO2K
EC Number: 218-826-7
Nikkaji: J45.683G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 8
Schwere Atome: 12
Formalladung: 0
Komplexität: 120

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Undecanenitrile) -> IFRA transparency List

Physical DescriptionColorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: -5.8 °C · -5.8°C
Siedepunkt: 129 °C · 129 °C / 11mmHg
Dichte: 0 · 0,82 g/cm3
Brechungsindex: 1.431 to · 1.4310 to 1.4350
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Henry's Law Constant: 6.1 · 6.1×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Dielectric constant: 10.86 · 10.859999999999999
LogP: 4.252 · 4.252 (est)
CAS Datenbank: 2244 · 2244-07-7(CAS DataBase Reference)
EPA chemische Informationen: Undecanenitrile (2244-07-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationUndecanenitrile: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 4 (100%)