Heptafluorbutyrylchlorid

Heptafluorobutyryl Chloride

HCID 67810CAS 375-16-6

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Grundinformationen

Standard-SMILES: O=C(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: WFELVFKXQJYPSL-UHFFFAOYSA-N
Summenformel: C4ClF7O
Durchschnittliche Molmasse: 232,48 g/mol
Monoisotopische Masse: 231,9525894

Namen und Bezeichner

Bevorzugter Name: Heptafluorobutyryl Chloride
IUPAC: 2,2,3,3,4,4,4-heptafluorobutanoyl chloride
Lokaler Name: Heptafluorbutyrylchlorid
Englischer Name: Heptafluorobutyryl chloride
Summenformel: C4ClF7O
Molmasse: 232.48

Namen und Synonyme

Heptafluorobutyryl chloridePerfluorobutyryl chlorideButanoyl chloride, heptafluoro-EINECS 206-785-8DTXSID9059915Butanoyl chloride, 2,2,3,3,4,4,4-heptafluoro-RefChem:145635DTXCID6039342206-785-8WFELVFKXQJYPSL-UHFFFAOYSA-N375-16-6heptafluorobutanoyl chloride

Weitere Namen anzeigen

heptafluoro-butanoylchlorid[for Heptafluorobutyration]Butanoylchloride,heptafluoro-Perfluorobutyryl chloride 98%Heptafluorobutyrylchloride98%HEPTAFLUORO-N-BUTYRYL CHLORIDEHeptafluorobutyrylchloride,97%

2,2,3,3,4,4,4-Heptafluorobutanoyl chlorideHeptafluorobutyrylchlorideMFCD00000707heptafluorobutyric acid chlorideCF3CF2CF2C(O)ClSCHEMBL428869Perfluorobutyryl chloride, 98%SBB051063

Datenbank-Bezeichner

CAS: 375-16-6
PubChem CID: 67810
DTXSID: DTXSID9059915
EC Number: 206-785-8
Nikkaji: J105.975K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 59 · 59-61 °C(Solv: benzene (71-43-2))
Siedepunkt: 39 °C · 39 °C
Dichte: 1.556 g/mL · 1.556 g/mL at 20 °C
Dampfdruck: 7.22 psi · 7.22 psi ( 20 °C)
Brechungsindex: 1.286 · 1.286-1.294
Flammpunkt: 38 · 38-39°C
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless
Wichte: 1.556 · 1.556
Wasserlöslichkeit: decomposes
BRN: 1790269 · 1790269
InChI: 1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
InChIKey: WFELVFKXQJYPSL-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(Cl)=O
CAS Datenbank: 375 · 375-16-6(CAS DataBase Reference)
NIST chemische Informationen: Heptafluorobutyryl chloride(375-16-6)
EPA chemische Informationen: Butanoyl chloride, heptafluoro- (375-16-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.