기본 정보
- 표준 SMILES
FC(Cl)C(F)(F)C(F)(F)Cl- InChIKey
UJIGKESMIPTWJH-UHFFFAOYSA-N- 분자식
- C3HCl2F5
- 평균 분자량
- 202.93 g/mol
- 단동위원소 질량
- 201.9375462
이름 및 식별자
- 우선 이름
- 1,3-Dichloro-1,1,2,2,3-pentafluoropropane
- IUPAC
- 1,3-dichloro-1,1,2,2,3-pentafluoropropane
- 현지명
- 1,3-디클로로-1,1,2,2,3-펜타플루오로프로판
- 영어명
- 1,3-DICHLORO-1,1,2,2,3-PENTAFLUOROPROPANE
- 분자식
- C3HCl2F5
- 분자량
- 202.94
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
507-55-1- PubChem CID
- 62353
- DTXSID
DTXSID6042028- UNII
- G6975BUY8I
- EC Number
- 208-076-9
- Nikkaji
- J182.263B
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 124
실험 및 물리화학적 성질
Vapor Pressure
286.0 [mmHg]
2.86X10+2 mm Hg @ 25 °C
Physical Description
1,3-dichloro-1,1,2,2,3-pentafluoropropane is a colorless odorless liquid. Nonflammable.
Colorless, odorless liquid; [CAMEO]
물리화학적 성질
- 녹는점
- -96.9 °C · -96.9°C
- 끓는 점
- 56 °C · 56°C
- 밀도
- 1 · 1,56 g/cm3
- 굴절률
- 1.326 · 1.326
- Henry's Law Constant
- 1.1 · 1.1×10-4 mol/(m3Pa) at 25℃, Kutsuna (2013)
- EPA
- -225 cb · HCFC-225cb (507-55-1)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 71.4% (5 of 7) of all reports.
Warning
H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 5 of 7 reports by companies.;There are 2 notifications provided by 2 of 7 reports by companies with hazard statement code(s).;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.
유해성 정보
Regulatory Information
Chemical: Propane, 1,3-dichloro-1,1,2,2,3-pentafluoro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Fire Hazards
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot. For UN3508, Capacitor, asymmetric, be aware of possible short circuiting as this product is transported in a charged state. Polymeric beads, expandable (UN2211) may evolve flammable vapours. (ERG, 2024)
Health Hazards
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;Inhalation of material may be harmful. Contact may cause burns to skin and eyes. Inhalation of Asbestos dust may have a damaging effect on the lungs. Fire may produce irritating, corrosive and/or toxic gases. Some liquids produce vapors that may cause dizziness or asphyxiation. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)
Reactivity Profile
1,3-DICHLORO-1,1,2,2,3-PENTAFLUOROPROPANE is chemically inert in many situations, but can react violently with strong reducing agents such as the very active metals and the active metals. They suffer oxidation with strong oxidizing agents and under extremes of temperature. Strong bases may release toxic gases.
안전 및 보호
Fire Fighting
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;CAUTION: Fire involving Safety devices (UN3268) and Fire suppressant dispersing devices (UN3559) may have a delayed activation and a risk of hazardous projectiles. Extinguish the fire at a safe distance.;SMALL FIRE: Dry chemical, CO2, water spray or regular foam.;LARGE FIRE: Water spray, fog or regular foam. Do not scatter spilled material with high-pressure water streams. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.;FIRE INVOLVING TANKS: Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)
Nonfire Spill Response
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent dust cloud. For Asbestos, avoid inhalation of dust. Cover spill with plastic sheet or tarp to minimize spreading. Do not clean up or dispose of, except under supervision of a specialist.;SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover loosely; move containers from spill area.;SMALL SPILL: Pick up with sand or other non-combustible absorbent material and place into containers for later disposal.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Cover powder spill with plastic sheet or tarp to minimize spreading. Prevent entry into waterways, sewers, basements or confined areas. (ERG, 2024)
Isolation and Evacuation
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)
독성 정보
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 700(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-1,1,2,2,3-pentafluoropropane is expected to have low mobility in soil(SRC). Volatilization of 1,3-dichloro-1,1,2,2,3-pentafluoropropane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.76 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 1,3-dichloro-1,1,2,2,3-pentafluoropropane from dry soil surfaces may exist(SRC) based upon a vapor pressure of 286 mm Hg(4). 1,3-Dichloro-1,1,2,2,3-pentafluoropropane, achieved 15% of its theoretical BOD in a 28 day closed bottle test, and it is expected that biodegradation will occur much less rapidly than volatilization in soil(4).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 700(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-1,1,2,2,3-pentafluoropropane 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 2.76 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4) Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.5 hours and 5.6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 50(SRC), from its log Kow of 3.1(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). 1,3-Dichloro-1,1,2,2,3-pentafluoropropane, present at 9.4 mg/l, reached 15% of its theoretical BOD in a 28 day closed bottle test, and therefore, biodegradation of 1,3-dichloro-1,1,2,2,3-pentafluoropropane is expected to be slow compared to volatilization(6).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-dichloro-1,1,2,2,3-pentafluoropropane, which has a vapor pressure of 286 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3-dichloro-1,1,2,2,3-pentafluoropropane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 4.9 years(SRC), calculated from its rate constant of 9.0X10-15 cu cm/molecule-sec at 25 °C(3). Measured absorption coefficients for 1,3-dichloro-1,1,2,2,3-pentafluoropropane indicate that photolysis in the troposphere does not compete with removal by reaction with the hydroxyl radical(4). Stratospheric photolysis, although contributing to the overall atmospheric lifetime, is less important than reactive loss processes. Stratospheric photolysis and reactive loss processes involving 1,3-dichloro-1,1,2,2,3-pentafluoropropane released chlorine radicals which can participate in ozone destroying reactions.
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,3-dichloro-1,1,2,2,3-pentafluoropropane can be estimated to be 700(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,3-dichloro-1,1,2,2,3-pentafluoropropane is expected to have low mobility in soil.
Environmental Bioconcentration
An estimated BCF of 50 was calculated for 1,3-dichloro-1,1,2,2,3-pentafluoropropane(SRC), using a log Kow of 3.1(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
Volatilization from Water/Soil
The Henry's Law constant for 1,3-dichloro-1,1,2,2,3-pentafluoropropane is estimated as 2.76 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,3-dichloro-1,1,2,2,3-pentafluoropropane is expected to volatilize rapidly from water surfaces(2). Based on this estimated 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 1.5 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 5.6 days(SRC). 1,3-Dichloro-1,1,2,2,3-pentafluoropropane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,3-dichloro-1,1,2,2,3-pentafluoropropane from dry soil surfaces may exist(SRC) based upon a vapor pressure of 286 mm Hg(3).
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of 1,3-dichloro-1,1,2,2,3-pentafluoropropane with photochemically-produced hydroxyl radicals has been measured as 9.0X10-15 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 4.9 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). 1,3-Dichloro-1,1,2,2,3-pentafluoropropane is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3). Photolysis of 1,3-dichloro-1,1,2,2,3-pentafluoropropane does not compete with hydroxyl radical reactions in the troposphere, but can become environmentally significant in the stratosphere where released chlorine radicals may participate in ozone-destroying reactions.
Environmental Fate/Exposure Summary
1,3-Dichloro-1,1,2,2,3-pentafluoropropane's (HCFC-225cb) production and use as a cleaning agent replacement for CFC-113 may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 286 mm Hg at 25 °C indicates 1,3-dichloro-1,1,2,2,3-pentafluoropropane will exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3-dichloro-1,1,2,2,3-pentafluoropropane will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 4.9 years. Measured absorption coefficients for 1,3-dichloro-1,1,2,2,3-pentafluoropropane indicate that photolysis in the troposphere does not compete with removal by reaction with the hydroxyl radical. Stratospheric photolysis and reactive loss processes involving 1,3-dichloro-1,1,2,2,3-pentafluoropropane released chlorine radicals which can participate in ozone destroying reactions. If released to soil, 1,3-dichloro-1,1,2,2,3-pentafluoropropane is expected to have low mobility based upon an estimated Koc of 700. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 2.76 atm-cu m/mole. 1,3-Dichloro-1,1,2,2,3-pentafluoropropane may volatilize from dry soil surfaces based upon its vapor pressure. 1,3-Dichloro-1,1,2,2,3-pentafluoropropane reached 15% of its theoretical BOD in a 28-day closed bottle test, suggesting biodegradation occurs slowly as compared to volatilization. If released into water, 1,3-dichloro-1,1,2,2,3-pentafluoropropane 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 1.5 hours and 5.6 days, respectively. An estimated BCF of 50 suggests the potential for bioconcentration
규제 정보
Regulatory Information
Chemical: Propane, 1,3-dichloro-1,1,2,2,3-pentafluoro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3082
- risk_code
- 20/21/22-59
- hazard_code
- Xi
- safety_code
- 23-36/37/39
- 기존화학 물질
- 97-3-52
- 위험 참고 사항
- Irritant
- 유해 물질 데이터
- 507-55-1(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as a cleaning agent (replacement for CFC 113); [HSDB]
Cleaning agent replacement for CFC 113.
• Cleaning/washing agents [Ref: http://www.spin2000.net/spinmyphp/]
non-polymer PFAS -> Cleaning compositions -> Cleaning compositions in general
응용 분야
일반 설명Colorless odorless liquid. Nonflammable.
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