Perfluorooctyl bromide

HCID 9873CAS 423-55-2

Basic information

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
Molecular formula
C8BrF17
Average molar mass
498.96 g/mol
Monoisotopic mass
497.89119

Names & identifiers

Preferred name
Perfluorooctyl bromide
IUPAC
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
English name
1-BroMoheptadecafluorooctane
Molecular formula
C8BrF17
Molecular weight
498.96

Names & synonyms

Perflubron423-55-21-BromoperfluorooctanePerfluorooctyl bromide1-BromoheptadecafluorooctanePerfluoroctyl bromide1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanePerfluorooctylbromidePFOBN-perfluorooctyl bromideperfluorocaprylyl bromideDTXSID5046560
Show more names
ImagentHEPTADECAFLUORO-N-OCTYL BROMIDETBr-8uorooctanelong’scompound
OCTANE, 1-BROMOHEPTADECAFLUORO-Q1D0Q7R4D9Octane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-DTXCID3026560CHEBI:38803perfluoroctylbromideperflubronumperfluorooctyliodide

Database identifiers

CAS
423-55-2
PubChem CID
9873
DTXSID
DTXSID5046560
ChEMBL
CHEMBL1200866
ChEBI
CHEBI:38803
UNII
Q1D0Q7R4D9
EC Number
207-028-4
Nikkaji
J94.754G

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
17
Rotatable bonds
6
Heavy atoms
26

Experimental & physicochemical properties

Kovats Retention Index581

Physicochemical properties

Melting point
6 °C · 6 °C
Boiling point
142 °C · 142 °C(lit.)
Density
1.93 g/mL · 1.93 g/mL at 25 °C(lit.)
vapor pressure
12.8 · 12.8-72hPa at 25-65℃
refractive index
20 · n20/D 1.305(lit.)
Flash point
141 · 141-143°C

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

Regulatory InformationStatus: Active Update: 22-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23055
Hazard Classes and Categories · 2 items

Skin Irrit. 2 (90.9%);Eye Irrit. 2 (90.9%);STOT SE 3 (89.1%)

Hazardous to the aquatic environment (Long-term) - Category 4

Regulatory information

Regulatory InformationStatus: Active Update: 22-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23055

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
RG8700000
ridadr
2810
hs_code
29037800
Toxicity
LD50 i.v. in female rats: 41 g/kg (Burgan)

Chemistry & industry

Pharmacology

ATC Code · 2 items

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 · 1 item

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 · 3 items

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.

Uses & manufacturing

Uses · 2 items

• 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

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications · 3 items

Uses1-Bromoperfluorooctane 1-Bromoheptadecafluorooctane (perfluorooctyl bromide) can be used as contrast agent in the vascular system for fluorine-19 magnetic resonance imaging or as synthetic oxygen carrier. It is used as an O2 carrier in some emulsions.

Uses1-BroMoheptadecafluorooctane can be used as oxygen carrier in emulsions used as blood substitutes.

General Description1-Bromoheptadecafluorooctane (perfluorooctyl bromide) is a perfluorocarbon. Poly(ethylene glycol)ylated polyester nanocapsules of perfluorooctyl bromide were surface-decorated with a RGD (arginine-glycine-aspartic acid) peptide, were used for tumor imaging. Nanocapsules of perfluorooctyl bromide have been developed as dual contrast agent for ultrasonography and Magnetic Resonance Imaging (MRI).

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Perflubron is a haloalkane that is perfluorooctane in which a fluorine attached to one of the terminal carbons has been replaced by a bromine. It has a role as a radioopaque medium and a blood substitute. It is a perfluorinated compound, an organobromine compound and a haloalkane. It derives from a hydride of an octane.

Related reactions

8 records

Linked notes

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