퍼플루오로헥산

퍼플루오로헥산 · PERFLUOROHEXANE · FC-72 · FLUORINERT · TETRADECAFLUOROHEXANE · PFC-51-14 · FLUORINERT FC-72 · PERFLUOROHEXANES

https://huagongshe.com/ko/chemical/9639

식별자 및 물리적 특성

CAS No.	355-42-0
분자식	C6F14
평균 분자량	338.04 g/mol
단동위원소 질량	337.97764508 g/mol
SMILES	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey	ZJIJAJXFLBMLCK-UHFFFAOYSA-N
PubChem CID	9639
ChEMBL	CHEMBL1200607
ChEBI	CHEBI:39427
EC No.	206-585-0
DTXSID	DTXSID7046548
현지명	퍼플루오로헥산

화학 및 물리적 성질

XLogP	5.1
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	14
회전 가능 결합 수	3
무거운 원자 수	20
형식 전하	0
복잡도	319
물질 분류	Other Classes -> Halogenated Aliphatics, Saturated
PFAS	PFAS -> Intentionally added food contact chemicalsPFAS -> Other/unspecifiedPFAS -> non-polymerPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Other Nonpolymers
의약품	Pharmaceuticals -> Various
SpringerMaterials Properties	19F nuclear magnetic resonance spectrum
냄새	Odorless
식품 첨가물	Use unspecified -> FDA Substance added to food
밀도	1.6910 g/cu cm at 20 °CDensity: 1.7560 at 0 °C1.66970 at 25 °C (air satd. 1 atm)1.6717 at 25 °C (degassed, equilibrium vapor pressure).1.6995 @ 20°C1.669 g/mL at 25 °C(lit.)
Viscosity	9.79 mP at 0 °C
Color/Form	Course, transparent, needle-like crystalsLiquidColorless radiolucent liquid
용해도	Soluble in ethyl ether, benzene, chloroform
Human Drugs	FDA approved drugs -> Active ingredient
끓는 점	57.2 °C56.6 °C @760 [mm Hg]58-60 °C(lit.)
녹는점	−4 °C(lit.)
증기압	26.5kPa at 25℃
굴절률	n20/D 1.252(lit.)
인화점	56-60°C
물리적 상태	액체
비중	1.699
색상	무색의
용해도	물과 섞이지 않습니다.
Merck	14,7157
BRN	1802113
헨리 상수	9.3×10-9 mol/(m3Pa) at 25℃, Brockbank (2013)
유전율	1.5700000000000001
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	용제
InChI	1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
InChIKey	ZJIJAJXFLBMLCK-UHFFFAOYSA-N
SMILES	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
LogP(분배 계수)	4.5 at 20℃ and pH7
표면장력	11.91mN/m at 20°C
EPA	Perfluorohexane (355-42-0)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.9% (2 of 107) of reports.WarningH315 (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.
규제 정보	Chemical: Hexane, tetradecafluoro-Status: Active Update: 11-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28093Tetradecafluorohexane: 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.
유해성 요약	An irritant[MSDSonline] See Perfluoro compounds, C5-18.
TSCA 요건	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: 9/30/91Reporting 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 9/30/91Sunset date: 12/19/95.
Toxic Combustion Products	Special hazards arising from the substance or mixture: Carbon oxides, Hydrogen fluoride
Hazard Classes and Categories	Skin Irrit. 2 (70.1%)
Hazardous Reactivities and Incompatibilities	Incompatible materials: Strong oxidizing agents
소화 절차	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.
보관 조건	Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
정리 방법	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 areasEnvironmental precautions: Do not let product enter drainsMethods 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.
처리 방법	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 qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand 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 materialContaminated packaging: Dispose of as unused product.
Preventive Measures	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)	11 [ppm]120 [ppm]2000 [ppm]
Personal Protective Equipment (PPE)	Eye/face protection: Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).Skin protection: Handle with gloves.Body Protection: Impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type AXBEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Other Standards Regulations and Guidelines	Global Warming Potential (GWP): Chemical: PFC-5-1-14 (Perfluorohexane, FC-72)GWP: 9,300 (100-Year Time Horizon)
환경 거동	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).
독성 요약	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	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/[USEPAICSS Dashboard ApplicationAvailable from, as of December 17, 2015: http://actor.epa.gov/dashboard/]
Soil Adsorption/Mobility	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	/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 1n=22) or Imagent (group 2n=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 Sources	Perfluoro-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).
Environmental Bioconcentration	An estimated BCF of 720 was calculated in fish for perfluoro-n-hexane(SRC), using an estimated log Kow of 4.83(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC).
Volatilization from Water/Soil	The Henry's Law constant for perfluoro-n-hexane is estimated as 1.8X10+4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that perfluoro-n-hexane is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7 days(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(3). Perfluoro-n-hexane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Perfluoro-n-hexane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 218 mm Hg(4).
Non-Human Toxicity Excerpts	/LABORATORY ANIMALS: Acute Exposure/ ... /Perflexane/ (n = 8) or equivalent volume of saline (n = 7) /was injected/ iv in randomly ordered 1, 8 and 16 mg/kg doses in dogs with preexisting pulmonary hypertension ... Imagent had no effects on cardiac output, pulmonary gas exchange, lung wet:dry ratio or static compliance. However, the 16 mg/kg dose of /perflexane/ 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. The lower doses of Imagent did not affect PAP or PVR ...
Environmental Abiotic Degradation	Perfluoro-n-hexane has an estimated atmospheric life-time of 3070-3200 years(1,2). Perfluoro-n-hexane has 20-, 100- and 500-year Global Warming Potentials of 4500, 6800 and 9900, respectively(2). 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). Perfluoro-n-hexane does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
Probable Routes of Human Exposure	Occupational exposure to perfluoro-n-hexane may occur through inhalation and dermal contact with this compound at workplaces where perfluoro-n-hexane is produced or used. Use data indicate that the general population may have limited exposure to perfluoro-n-hexane via ultrasound medical imaging. (SRC)According to the 2006 TSCA Inventory Update Report, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of perfluoro-n-hexane is 100 to 999the data may be greatly underestimated(1).
Environmental Fate/Exposure Summary	Perfluoro-n-hexane's production and use as a coolant and ultrasound contrast agent may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 218 mm Hg at 25 °C indicates perfluoro-n-hexane will exist solely as a vapor in the atmosphere. Vapor-phase perfluoro-n-hexane has an estimated atmospheric life-time of 3070 to 3200 years. Perfluoro-n-hexane has 20-, 100- and 500-year Global Warming Potentials of 4500, 6800 and 9900, respectively. Perfluoro-n-hexane does not contain chromophores that absorb at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight. If released to soil, perfluoro-n-hexane is expected to be immobile based upon an estimated Koc of 8X10+4. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.8X10+4 atm-cu m/mole. Perfluoro-n-hexane is expected to volatilize from dry soil surfaces based upon its vapor pressure. However, adsorption to soil is expected to attenuate volatilization. Biodegradation data in soil or water were not available. If released into water, perfluoro-n-hexane is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment. The estimated volatilization half-life from a model pond is 2 years if adsorption is considered. An estimated BCF of 720 suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions (pH 5 to 9). Occupational exposure to perfluoro-n-hexane may occur through inhalation and dermal contact with this compound at workplaces where perfluoro-n-hexane is produced or used. Use data indicate that the general population may have limited exposure to perfluoro-n-hexane via ultrasound medical imaging. (SRC)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	MO4310000
운송 번호(UN)	2810
관세 코드	29033990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
포장분류	III
위험 등급	6.1(b)Aquatic Chronic 3
기존화학 물질	KE-33330
위험 참고 사항	Irritant
저장 분류	10 - Combustible liquids
유해 물질 데이터	355-42-0(Hazardous Substances Data)

용도

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.

일반 설명

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.