Perfluorooctyl bromide (HCID 9873)

名称と識別子

優先名称: Perfluorooctyl bromide
IUPAC: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
現地名: ヘプタデカフルオロ-n-オクチルブロミド
英語名: 1-BroMoheptadecafluorooctane
分子式: C8BrF17
分子量: 498.96

名称と別名

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

名称をさらに表示

ヘプタデカフルオロ-n-オクチルブロミドペルフルブロンイマゲントヘプタデカフルオロオクチルブロミドイマジェント1-ブロモ-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロオクタンヘプタデカフルオロ-1-ブロモオクタン1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロ-1-ブロモオクタンF-オクチルブロミド1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-ヘプタデカフルオロ-8-ブロモオクタンペルフルオロオクチルブロミド1-ブロモヘプタデカフルオロオクタン1-ブロモパーフルオロオクタン1-ブロモパーフルオロオクタン, 98+%パーフルブロンパーフルオロオクチルブロミド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

データベース識別子

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

物性

構造計算による物性

XLogP: 6.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 17
回転可能結合数: 6
重原子数: 26
形式電荷: 0
複雑度: 527

実験および物理化学的性質

Kovats Retention Index581

物理化学的性質

融点: 6 °C · 6 °C
沸点: 142 °C · 142 °C(lit.)
比重(密度): 1.93 g/mL · 1.93 g/mL at 25 °C(lit.)
蒸気圧: 12.8 · 12.8-72hPa at 25-65℃
屈折率: 20 · n20/D 1.305(lit.)
闪点: 141 · 141-143°C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Soluble in DMSO
外見: 粘性溶液
比重: 1.93 · 1.930
色: 無色～黄褐色
水溶解度: 混和しないか、水に混ざりにくい。
Merck: 14 · 14,7156
BRN: 2016022 · 2016022
化粧品成分の機能: 溶媒
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 データベース: 423 · 423-55-2(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Bromoheptadecafluorooctane (423-55-2)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

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

Hazard Classes and Categories · 2 件

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

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

法規制情報

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

安全データ

wgk: 3
rtecs: RG8700000
ridadr: 2810
毒性: LD50 i.v. in female rats: 41 g/kg (Burgan)
hs_code: 29037800
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

ATC Code · 2 件

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 件

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 件

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.

用途と製造

Uses · 2 件

• 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

応用分野 · 3 件

用途有機合成原料。

使用1-BroMoheptadecafluorooctane can be used as oxygen carrier in emulsions used as blood substitutes.

一般的な説明1-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).