テトラデカフルオロヘキサン

Perfluorohexane

HCID 9639CAS 355-42-0

基本情報

標準SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
ZJIJAJXFLBMLCK-UHFFFAOYSA-N
分子式
C6F14
平均分子量
338.04 g/mol
単同位体質量
337.97764508

概要

Perfluorohexane is a fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines. It has a role as a radioopaque medium and a non-polar solvent. It is a volatile organic compound, a fluoroalkane and a fluorocarbon. It derives from a hydride of a hexane.

名称と識別子

優先名称
Perfluorohexane
IUPAC
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
現地名
テトラデカフルオロヘキサン
英語名
Tetradecafluorohexane
分子式
C6F14
分子量
338.04

名称と別名

PerfluorohexanePerflexane355-42-0TetradecafluorohexaneFlutec PP1n-Tetradecafluorohexanen-PerfluorohexaneFluorinert FC721,1,1,2,2,3,3,4,4,5,5,6,6,6-TetradecafluorohexaneAF0150PerflexanoDTXSID7046548
名称をさらに表示
テトラデカフルオロヘキサンペルフルオロ-n-ヘキサンパーフルオロヘキサンペルフルオロヘキサンパーフルオロ化合物FC-72Rパーフルオロヘキサン (テトラデカフルオロヘキサン)パーフルオロヘキサン、パーフルオロ化合物FC‐72Rパーフルオロヘキサン, 98+% (85% n-isomer)ペルフレキサンFC-72FLUORINERTPFC-51-14FLUORINERT FC-72PERFLUOROHEXANESPF5060PERFLUORO-N-HEXANE
FX3WJ41CMXAF-0150DTXCID5026548CHEBI:39427perflexanumRefChem:860187206-585-0Hexane, tetradecafluoro-

データベース識別子

CAS
355-42-0
PubChem CID
9639
DTXSID
DTXSID7046548
ChEMBL
CHEMBL1200607
ChEBI
CHEBI:39427
UNII
FX3WJ41CMX
EC Number
206-585-0
Nikkaji
J43.344F

物性

構造計算による物性

XLogP
5.1
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
14
回転可能結合数
3
重原子数
20

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFAS · 6 件

PFAS -> Intentionally added food contact chemicals

PFAS -> Other/unspecified

PFAS -> non-polymer

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS -> Other Nonpolymers

DrugsPharmaceuticals -> Various
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
OdorOdorless
Food AdditivesUse unspecified -> FDA Substance added to food

物理化学的性質

融点
4 °C · −4 °C(lit.)
沸点
58 · 58-60 °C(lit.)
比重(密度)
1.669 g/mL · 1.669 g/mL at 25 °C(lit.)
蒸気圧
26.5 kPa · 26.5kPa at 25℃
屈折率
20 · n20/D 1.252(lit.)
闪点
56 · 56-60°C

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.9% (2 of 107) of reports.

Warning

H315 (70.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 107 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: Hexane, tetradecafluoro-

Status: Active Update: 11-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28093

Tetradecafluorohexane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [MSDSonline] See Perfluoro compounds, C5-18.
TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 9/30/91; Reporting date: 11/27/91.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Perfluoro-N-hexane is included on this list. Effective date 9/30/91; Sunset date: 12/19/95.

Toxic Combustion ProductsSpecial hazards arising from the substance or mixture: Carbon oxides, Hydrogen fluoride
Hazard Classes and CategoriesSkin Irrit. 2 (70.1%)
Hazardous Reactivities and IncompatibilitiesIncompatible materials: Strong oxidizing agents

安全と保護具

Fire Fighting Procedures · 2 件

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Cleanup Methods · 1 件

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas; Environmental precautions: Do not let product enter drains; Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.

Disposal Methods · 2 件

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material; Contaminated packaging: Dispose of as unused product.

Preventive Measures · 3 件

Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Normal measures for preventive fire protection.

Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

Protective Action Criteria (PAC) · 3 件

11 [ppm]

120 [ppm]

2000 [ppm]

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 8X10+4(SRC), determined from a structure estimation method(2), indicates that perfluoro-n-hexane is expected to be immobile in soil(SRC). Volatilization of perfluoro-n-hexane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.8X10+4 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Perfluoro-n-hexane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 218 mm Hg at 25 °C(3). Biodegradation data in soil were not available(SRC, 2016).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 8X10+4(SRC), determined from a structure estimation method(2), indicates that perfluoro-n-hexane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.8X10+4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 2 years if adsorption is considered(4). Perfluoro-n-hexane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(5), an estimated BCF of 720(SRC), from an estimated log Kow of 4.83(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC). Biodegradation data in water were not available(SRC, 2016).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), perfluoro-n-hexane, which has a vapor pressure of 218 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase perfluoro-n-hexane has an estimated atmospheric life-time of 3070 to 3200 years(3,4). Perfluoro-n-hexane has 20-, 100- and 500-year Global Warming Potentials of 4500, 6800 and 9900, respectively(4). Perfluoro-n-hexane does not contain chromophores that absorb at wavelengths >290 nm(5) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Toxicity Summary · 1 件

IDENTIFICATION AND USE: Perflexane is a liquid. It is used in the electronics industry as a coolant and test bath medium. Non-toxic, non-ozone-depleting, inert reaction medium. It is also used as diagnostic aid (Ultrasound contrast agent). HUMAN EXPOSURE AND TOXICITY: There is no data. ANIMAL STUDIES: In dogs with preexisting pulmonary hypertension, perflexane lipid microspheres (16 mg/kg dose) increased both pulmonary artery pressure (PAP) transiently by an average of 5.7 mmHg (p < 0.05) 2 to 3 min after injection and pulmonary vascular resistance (PVR) by 5.9 mmHg per L/min (p < 0.05) 4 min after injection before returning to preinjection levels.

Ongoing Test Status · 1 件

EPA has released the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays/[USEPA; ICSS Dashboard Application; Available from, as of December 17, 2015: http://actor.epa.gov/dashboard/]

Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc of perfluoro-n-hexane can be estimated to be 8X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that perfluoro-n-hexane is expected to be immobile in soil.

Human Toxicity Excerpts · 1 件

/HUMAN EXPOSURE STUDIES/ ... Patients with varying degrees of coronary artery stenosis on quantitative angiography underwent high-mechanical-index myocardial contrast echocardiography at 15 Hz to allow measurement of phasic changes in aBV in large intramyocardial vessels using either Definity (group 1; n=22) or Imagent (group 2; n=22) ... A systolic/diastolic aBV signal ratio of >0.34 provided a sensitivity and specificity of 80% and 71%, respectively, for the detection of >75% coronary stenosis in group 1 patients, whereas a ratio of >0.43 provided a sensitivity and specificity of 89% and 74%, respectively, for the detection of >75% stenosis in group 2 patients. Both the presence and severity of a physiologically significant coronary stenosis can be detected at rest by measuring the increase in aBV on myocardial contrast echocardiography that occurs distally to the stenosis without recourse to any form of stress.

Artificial Pollution SourcesPerfluoro-n-hexane's production and use as a coolant and ultrasound contrast agent(1) may result in its release to the environment through various waste streams(SRC).

法規制情報

TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 9/30/91; Reporting date: 11/27/91.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Perfluoro-N-hexane is included on this list. Effective date 9/30/91; Sunset date: 12/19/95.

安全データ

wgk
3
tsca
TSCA listed
rtecs
MO4310000
ridadr
2810
hs_code
29033990
risk_code
36/37/38

化学と産業

薬理情報

FDA Pharmacological Classification · 5 件

FX3WJ41CMX

PERFLEXANE

Established Pharmacologic Class [EPC] - Contrast Agent for Ultrasound Imaging

Mechanisms of Action [MoA] - Ultrasound Contrast Activity

Perflexane is a Contrast Agent for Ultrasound Imaging. The mechanism of action of perflexane is as an Ultrasound Contrast Activity.

Absorption, Distribution and Excretion · 1 件

The metabolism and pharmacokinetic characteristics of 1,1-dichloro-2,2,2-trifluoroethane (HCFC-123), 2-chloro-1,1,1,2-tetrafluoroethane (HCFC-124), 1-chloro-1,1-difluoroethane (HCFC-142b), and perfluorohexane (PFH) were studied in rats. The study was part of a program to investigate possible health hazards presented by candidate Halon replacements for use as a fire extinguishant. Male Fischer-344-rats and Sprague-Dawley-rats were exposed nose only to 10,000 parts per million (ppm) HCFC-123, HCFC-124, HCFC-142b, or PFH for 2 hours. Urine samples were collected for 24 hours. The rats were killed 0 or 24 hours after exposure and the tissue distribution of the compounds and their metabolites was determined by gas chromatography and fluorine-19 nuclear magnetic resonance spectroscopy. HCFC-123, HCFC-124, HCFC-142b, and PFH were detected in all tissues of rats killed immediately after exposure. ... Most tissue concentrations of the halocarbons and metabolites were below the detection limit in rats examined 24 hours post exposure. ... No PFH metabolites were detected /in urine/. ...

用途と製造

Uses · 5 件

Used as a coolant (electronics), inert reaction medium (non-toxic and non-ozone-depleting), and ultrasound contrast agent; [Merck Index] Perfluoroalkanes, e.g., perfluorodecalin, are used to produce blood substitutes. [Ullmann]

In the electronics industry as a coolant and test bath medium. Non-toxic, non-ozone-depleting, inert reaction medium.

Diagnostic aid (Ultrasound contrast agent).

• Refrigerant [Ref: https://www.ashrae.org/technical-resources/standards-and-guidelines/ashrae-refrigerant-designations]

non-polymer PFAS -> Personal Care products and cosmetics -> Moisturer

U.S. Production · 2 件

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7610]

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-. Aggregated National Production Volume: < 500,000 pounds.

Formulations/PreparationsIntravenous injection of an ultrasound contrast agent (UCA; perflexane lipid microspheres (Imagent)) /IMCOR Pharmacetuical Co./
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHexane, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用Perfluorohexanes is used as a coolant, photosensitizer in fluorous biphasic singlet oxygenation and an inert reaction medium. It is used in the electronic cooling liquid and insulator. It plays a vital role as a reaction medium, especially for photooxidation reactions. Further, it finds application as an ultrasound contrast agent.

一般的な説明Tetradecafluorohexane in the gas phase reacts spontaneously with lithium amalgam, to give a solid and intimate mixture of lithium fluoride and elemental polymeric carbon with a small amount of superstoichiometric lithium.

調製方法

純化方法Purify the fluorohexane by fractional freezing. The methods described for perfluoroheptane should be applicable here. [Beilstein 1 IV 348.]

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海恩氟佳科技有限公司15800445152 · [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]

補足説明

定義本品は、次の化学式で表されるフッ素化合物である。

関連反応

8 件

関連ノート

読み込み中…