Tetradeca-1,13-dien

Tetradeca-1,13-diene

HCID 30875CAS 21964-49-8

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Grundinformationen

Standard-SMILES: C=CCCCCCCCCCCC=C
InChIKey: XMRSTLBCBDIKFI-UHFFFAOYSA-N
Summenformel: C14H26
Durchschnittliche Molmasse: 194,36 g/mol
Monoisotopische Masse: 194,20345083

Namen und Bezeichner

Bevorzugter Name: Tetradeca-1,13-diene
IUPAC: tetradeca-1,13-diene
Lokaler Name: Tetradeca-1,13-dien
Englischer Name: 1,13-Tetradecadiene
Summenformel: C14H26
Molmasse: 194.36

Namen und Synonyme

1,13-TETRADECADIENETetradeca-1,13-dienetetradecadiene-1,13AI3-36491DTXSID80176373EINECS 244-687-7RefChem:188481DTXCID3098864244-687-7XMRSTLBCBDIKFI-UHFFFAOYSA-N21964-49-8MFCD00014941

Weitere Namen anzeigen

Tetradecadiene1,13-Tetradecadiene 90%1,13-Tetradecadiene >1,13-TETRADECADIENE 99+%1,13-Tetradecadiene, 90+%

SCHEMBL2174581,13-Tetradecadiene, 90%SCHEMBL14785905AKOS025294923CS-0323980NS00050131T0673F725125

Datenbank-Bezeichner

CAS: 21964-49-8
PubChem CID: 30875
DTXSID: DTXSID80176373
EC Number: 244-687-7
Nikkaji: J124.074I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 11
Schwere Atome: 14
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Siedepunkt: 131 °C/17 · 131 °C/17 mmHg (lit.)
Dichte: 0.849 g/mL · 0.849 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.443(lit.)
Flammpunkt: 219 °F · 219 °F
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
BRN: 1741459 · 1741459
InChI: 1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKey: XMRSTLBCBDIKFI-UHFFFAOYSA-N
SMILES: C=CCCCCCCCCCCC=C
CAS Datenbank: 21964 · 21964-49-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Sicherheitsdaten

wgk: 3
hs_code: 2901.29.5000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1,13-Tetradecadiene was grafted to hydrogenated B-doped silicon (100) surfaces. It was used in the synthesis of naturally occurring, biologically active pyridine alkaloids theonelladins C and D, niphatesine C and xestamine D.