Grundinformationen
- Standard-SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br- InChIKey
WTWWXOGTJWMJHI-UHFFFAOYSA-N- Summenformel
- C8BrF17
- Durchschnittliche Molmasse
- 498,96 g/mol
- Monoisotopische Masse
- 497,89119
Namen und Bezeichner
- Bevorzugter Name
- Perfluorooctyl bromide
- IUPAC
- 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
- Lokaler Name
- 1-Bromheptadecafluoroctan
- Englischer Name
- 1-BroMoheptadecafluorooctane
- Summenformel
- C8BrF17
- Molmasse
- 498.96
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
423-55-2- PubChem CID
- 9873
- DTXSID
DTXSID5046560- ChEMBL
CHEMBL1200866- ChEBI
CHEBI:38803- UNII
- Q1D0Q7R4D9
- EC Number
- 207-028-4
- Nikkaji
- J94.754G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 527
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 6 °C · 6 °C
- Siedepunkt
- 142 °C · 142 °C(lit.)
- Dichte
- 1.93 g/mL · 1.93 g/mL at 25 °C(lit.)
- Dampfdruck
- 12.8 · 12.8-72hPa at 25-65℃
- Brechungsindex
- 20 · n20/D 1.305(lit.)
- Flammpunkt
- 141 · 141-143°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Viscous Solution
- Wichte
- 1.93 · 1.930
- Farbe
- Colorless to tan
- Wasserlöslichkeit
- Not miscible or difficult to mix in water.
- Merck
- 14 · 14,7156
- BRN
- 2016022 · 2016022
- Kosmetik-Inhaltsstoffe Funktionen
- SOLVENT
- InChI
- 1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
- InChIKey
- WTWWXOGTJWMJHI-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
- LogP
- 6.1 at · 6.1 at 25℃
- CAS Datenbank
- 423 · 423-55-2(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Bromoheptadecafluorooctane (423-55-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (89.1%): 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 55 reports by companies from 9 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.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (90.9%);Eye Irrit. 2 (90.9%);STOT SE 3 (89.1%)
Hazardous to the aquatic environment (Long-term) - Category 4
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29037800
- RTECS-Nr.
- RG8700000
- risk_code
- 36/37/38
- Toxizität
- LD50 i.v. in female rats: 41 g/kg (Burgan)
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
ATC Code
V - Various;V08 - Contrast media;V08C - Magnetic resonance imaging contrast media;V08CX - Other magnetic resonance imaging contrast media;V08CX01 - Perflubron
QV - Various;QV08 - Contrast media;QV08C - Magnetic resonance imaging contrast media;QV08CX - Other magnetic resonance imaging contrast media;QV08CX01 - Perflubron
Mechanism of Action
Perflubron emulsion (Oxygent) maintains hemodynamic stability during major surgery, thereby potentially reducing or avoiding intraoperative transfusions of donor blood in major surgery.Perflubron emulsion has ability to enable patients to be physiologically stable and safe at lower intraoperative Hb levels.
MeSH Pharmacological Classification
Substances used to allow enhanced visualization of tissues.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
Agents that increase energy expenditure and weight loss by neural and metabolic regulation.
Verwendung und Herstellung
Uses
• Ophthalmology [Ref: https://doi.org/10.1155/2014/250323];• Oxygen carrier for artificial blood [Ref: https://doi.org/10.1039/c7gc03081a];• Solvent for printing ink [Ref: CAS2019 (CN109810567)];• X-ray imaging [Ref: https://doi.org/10.1007/978-1-4899-1202-2];• Supply of gases, including CO2, to microbial cells [Ref: https://doi.org/10.1007/978-1-4899-1202-2]
non-polymer PFAS -> Printing (Inks) -> Toner and printer inks;non-polymer PFAS -> Pharmaceutical Industry -> Processing aid in the manufacture of microporous particles;non-polymer PFAS -> Medicinal Utensils -> Retinal detachment surgery and proliferative vitreoretinopathy;non-polymer PFAS -> Medicinal Utensils -> Supplement conventional blood transfusion and artificial blood and perfusion of isolated organs;non-polymer PFAS -> Medicinal Utensils -> Contrast agent;non-polymer PFAS -> Biotechnology -> Supply of oxygen and other gases to cells in culture
Anwendungen
Verwenden1-BroMoheptadecafluorooctane can be used as oxygen carrier in emulsions used as blood substitutes.
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