Perfluorooctyl bromide (HCID 9873)

이름 및 식별자

우선 이름: Perfluorooctyl bromide
IUPAC: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
현지명: 퍼플루오로카프릴일브로마이드
영어명: 1-BroMoheptadecafluorooctane
분자식: C8BrF17
분자량: 498.96

이름 및 동의어

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

이름 더 보기

퍼플루오로카프릴일브로마이드ImagentHEPTADECAFLUORO-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 17
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 527

실험 및 물리화학적 성질

Kovats Retention Index581

물리화학적 성질

녹는점: 6 °C · 6 °C
끓는 점: 142 °C · 142 °C(lit.)
밀도: 1.93 g/mL · 1.93 g/mL at 25 °C(lit.)
증기압: 12.8 · 12.8-72hPa at 25-65℃
굴절률: 20 · n20/D 1.305(lit.)
인화점: 141 · 141-143°C
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO에 용해됨
물리적 상태: 점성 용액
Specific Gravity: 1.93 · 1.930
색상: 무색~황갈색
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
Merck: 14 · 14,7156
BRN: 2016022 · 2016022
화장품 원료 기능: 용제
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℃
EPA: 1 · 1-Bromoheptadecafluorooctane (423-55-2)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

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

Hazard Classes and Categories · 2건

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

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

규제 정보

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

안전 데이터

wgk: 3
rtecs: RG8700000
ridadr: 2810
독성: LD50 i.v. in female rats: 41 g/kg (Burgan)
HS 번호: 29037800
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
포장분류: III
위험 등급: 6.1(b)
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

ATC Code · 2건

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 · 1건

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 · 3건

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.

용도 및 제조

Uses · 2건

• 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

응용 분야 · 2건

용도1-BroMoheptadecafluorooctane can be used as oxygen carrier in emulsions used as blood substitutes.

일반 설명1-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).