1-Iodhexadecan

1-Iodohexadecane

HCID 11007CAS 40474-98-4

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCCI
InChIKey: KMWHQYDMBYABKL-UHFFFAOYSA-N
Summenformel: C16H33I
Durchschnittliche Molmasse: 352,34 g/mol
Monoisotopische Masse: 352,16269906

Überblick

1-iodohexadecane has been reported in Vernonanthura patens with data available.

Namen und Bezeichner

Bevorzugter Name: 1-Iodohexadecane
IUPAC: 1-iodohexadecane
Lokaler Name: 1-Iodhexadecan
Englischer Name: 1-Iodohexadecane
Summenformel: C16H33I
Molmasse: 352.34

Namen und Synonyme

1-IODOHEXADECANE544-77-4Hexadecane, 1-iodo-JO95X48M8ODTXSID0049317DTXCID9029273RefChem:433278208-879-4Cetyl iodideHexadecyl iodide1-iodo-hexadecane40474-98-4

Weitere Namen anzeigen

1-Jodhexadecan1-iodo-hexadecan1-HexadecyljodidHexadecane,1-iodo-1-Iodohexadecane>1-Iodohexadecane,95%

UNII-JO95X48M8OMFCD00001089EINECS 208-879-4Hexadecane, iodo-n-Hexadecyl iodide1-Iodohexadecane; Cetyl iodide; Hexadecyl iodideiodohexadecaneCetyljodid

Datenbank-Bezeichner

CAS: 40474-98-4、544-77-4
PubChem CID: 11007
DTXSID: DTXSID0049317
ChEMBL: CHEMBL1233571
UNII: JO95X48M8O
EC Number: 208-879-4
Nikkaji: J95.915D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 9,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 14
Schwere Atome: 17
Formalladung: 0
Komplexität: 123

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless or pale yellow liquid or melt; mp = 21-23 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 21 · 21-23 °C(lit.)
Siedepunkt: 206 · 206-207 °C10 mm Hg(lit.)
Dichte: 1.121 g/mL · 1.121 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4806(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
Löslichkeit: 0.02 μg/l · 0.02 μg/l practically insoluble
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Yellow
Wasserlöslichkeit: Insoluble in water.
Dielectric constant: 3.3 · 3.3(20℃)
Stabilität: Stable, but light sensitive. Incompatible with strong bases, strong oxidizing agents.
InChI: 1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey: KMWHQYDMBYABKL-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCI
CAS Datenbank: 544 · 544-77-4(CAS DataBase Reference)
EPA chemische Informationen: 1 · Hexadecane, 1-iodo- (544-77-4)

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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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

Regulatory Information · 2 Einträge

Chemical: Hexadecane, 1-iodo-

Hexadecane, 1-iodo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Hexadecane.

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9 / PGIII
hs_code: 29033990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationHexadecane, 1-iodo-: ACTIVE

Anwendungen

Verwenden1-Iodohexadecane, is used as an ionic liquid for electrochemical applications. It is also used in detection methods as primer and probe design instrumentation applications guide in qPCR Technic.