Trideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorhexan

1H-Perfluorohexane

HCID 67730

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Grundinformationen

CAS: 355-37-3
Standard-SMILES: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: XJSRKJAHJGCPGC-UHFFFAOYSA-N
Summenformel: C6HF13
Durchschnittliche Molmasse: 320,05 g/mol
Monoisotopische Masse: 319,9870661

Namen und Bezeichner

Bevorzugter Name: 1H-Perfluorohexane
IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
Lokaler Name: Trideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorhexan
Englischer Name: 1H-Perfluorohexane
Summenformel: C6HF13
Molmasse: 320.05

Namen und Synonyme

1H-Perfluorohexane1,1,1,2,2,3,3,4,4,5,5,6,6-TridecafluorohexaneEINECS 206-581-9837H3TP46UTrideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorohexane1-hydrotridecafluorohexaneHexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-DTXSID20188995HFC 52-13PRefChem:79905DTXCID80111486XJSRKJAHJGCPGC-UHFFFAOYSA-N

Weitere Namen anzeigen

IH-PerfluorohexaneTRIDECAFLUOROHEXANE1H-Perfluorohexane98%1H-Perfluorohexane,97%1H-Perfluorohexane 98%1H-Tridecafluoro-n-hexane1H-Tridecafluorohexane 98%

355-37-31H-TridecafluorohexaneMFCD001426321H-Perfluorohexane, 95%SCHEMBL37631SCHEMBL37632UNII-837H3TP46UC6F13H

Datenbank-Bezeichner

CAS: 355-37-3
PubChem CID: 67730
DTXSID: DTXSID20188995
UNII: 837H3TP46U
EC Number: 206-581-9
Nikkaji: J95.349K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 323

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index300

Physikochemische Eigenschaften

Schmelzpunkt: -93 ℃ · -93℃
Siedepunkt: 71 °C · 71°C
Dichte: 1 · 1,6843 g/cm3
Dampfdruck: 15 kPa · 15kPa at 20℃
Brechungsindex: 1.3 · 1.3
Flammpunkt: 110 · >110
Aggregatzustand: clear liquid
Wichte: 1.6843 · 1.6843
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: 1.5 mg/L · 1.5mg/L at 20℃
BRN: 1799000 · 1799000
InChI: InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H
InChIKey: XJSRKJAHJGCPGC-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
LogP: 4.1 at · 4.1 at 35℃
CAS Datenbank: 355 · 355-37-3(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Perfluorohexane · 1H-Perfluorohexane (355-37-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.