Grundinformationen
- Standard-SMILES
FC(F)(F)C(F)(F)C(Cl)Cl- InChIKey
COAUHYBSXMIJDK-UHFFFAOYSA-N- Summenformel
- C3HCl2F5
- Durchschnittliche Molmasse
- 202,93 g/mol
- Monoisotopische Masse
- 201,93754649
Überblick
3,3-dichloro-1,1,1,2,2-pentafluoropropane is a colorless odorless liquid. Nonflammable.
Namen und Bezeichner
- Bevorzugter Name
- 3,3-Dichloro-1,1,1,2,2-pentafluoropropane
- IUPAC
- 3,3-dichloro-1,1,1,2,2-pentafluoropropane
- Lokaler Name
- 1,1-Dichlor-2,2,3,3,3-pentafluorpropan
- Englischer Name
- 3,3-Dichloro-1,1,1,2,2-pentafluoropropane
- Summenformel
- C3HCl2F5
- Molmasse
- 202.94
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
127564-92-5、422-56-0- PubChem CID
- 61112
- DTXSID
DTXSID1042027- UNII
- 0976Z0010M
- EC Number
- 207-016-9
- Nikkaji
- J196.090C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 117
Experimentelle und physikochemische Eigenschaften
PFAS
PFAS -> Other/unspecified
PFAS -> Other Nonpolymers
PFAS -> non-polymer
PFAS -> PFAS with analytical method available
PFAS -> Other/unspecified
Solvents
Solvents -> Chlorofluorocarbons
Solvents -> Chlorofluorocarbons
Vapor Pressure
240.0 [mmHg]
240 mm Hg at 25 °C
Physical Description
3,3-dichloro-1,1,1,2,2-pentafluoropropane is a colorless odorless liquid. Nonflammable.
Dichloropentafluoropropane is a colorless odorless liquid. Nonflammable.
Colorless odorless liquid; [CAMEO]
Colorless odorless liquid; [CAMEO]
Physikochemische Eigenschaften
- Schmelzpunkt
- -94 °C · -94°C
- Siedepunkt
- 51 °C · 51°C
- Dichte
- 1.55 · 1.55
- Brechungsindex
- 1.3248 · 1.3248
- Henry's Law Constant
- 9.8 · 9.8×10-5 mol/(m3Pa) at 25℃, Kutsuna (2013)
- EPA chemische Informationen
- -225 ca · HCFC-225ca (422-56-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 93.5% (29 of 31) of all reports.
Not Classified
Aggregated GHS information provided per 31 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H420: Harms public health and the environment by destroying ozone in the upper atmosphere [Warning Hazardous to the ozone layer]
P502</a, and a href="https://pubchem.ncbi.nlm.nih.gov/ghs/#P502">P502 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Propane, 3,3-dichloro-1,1,1,2,2-pentafluoro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3,3-dichloro-1,1,1,2,2-pentafluoropropane: 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.
DOT Label
Class 9
Class 9
Fire Hazards
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Health Hazards
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Hazards Summary
See CHLOROFLUOROCARBONS.
A mild eye irritant; May have narcotic effects by inhalation; [Alfa Aesar MSDS]
Reactive Group
Fluorinated Organic Compounds
Fluorinated Organic Compounds
Reactivity Profile
3,3-DICHLORO-1,1,1,2,2-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.
DICHLOROPENTAFLUOROPROPANE is chemically inert in many situations, but can react violently with strong reducing agents such as the very active metals and the active metals. Reacts with strong oxidizing agents and with air under extremes of temperature.
Air and Water Reactions
Slightly soluble in water.
Insoluble in water
Hazard Classes and Categories
Not Classified
Hazardous to the ozone layer - Category 1
Sicherheit und Schutzausrüstung
Fire Fighting
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
First Aid
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Nonfire Spill Response
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Isolation and Evacuation
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Toxikologische Informationen
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 1,1-dichloro-2,2,3,3,3-pentafluoropropane is expected to have low mobility in soil(SRC). Volatilization of 1,1-dichloro-2,2,3,3,3-pentafluoropropane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.11 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 1,1-dichloro-2,2,3,3,3-pentafluoropropane from dry soil surfaces may exist(SRC) based upon a vapor pressure of 240 mm Hg(4). 1,1-Dichloro-2,2,3,3,3-pentafluoropropane, present at 9.3 mg/l, reached 7% of its theoretical BOD in a 28 day closed bottle test, and therefore the rate of biodegradation of 1,1-dichloro-2,2,3,3,3-pentafluoropropane is expected to be slow in comparison to the volatilization rate(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 1,1-dichloro-2,2,3,3,3-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 0.11 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 58(SRC), from a log Kow of 3.2(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate. 1,1-Dichloro-2,2,3,3,3-pentafluoropropane, present at 9.3 mg/l, reached 7% of its theoretical BOD in a 28 day closed bottle test, and therefore 1,1-dichloro-2,2,3,3,3-pentafluoropropane is not expected to biodegrade rapidly in water(6).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1-dichloro-2,2,3,3,3-pentafluoropropane, which has a vapor pressure of 240 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,1-dichloro-2,2,3,3,3-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 3.6 years(SRC), calculated from its rate constant of 2.41X10-14 cu cm/molecule-sec at 25 °C(SRC)(3). Measured absorption coefficients for 1,1-dichloro-2,2,3,3,3-pentafluoropropane indicate that photolysis in the troposphere does not compete with removal by reaction with the hydroxyl radical(4). Photolysis is the dominant sink for 1,1-dichloro-2,2,3,3,3-pentafluoropropane in the stratosphere. Stratospheric photolysis of 1,1-dichloro-2,2,3,3,3-pentafluoropropane frees chlorine radicals which can participate in ozone destroying reactions.
Adverse Effects
Neurotoxin - Acute solvent syndrome
Neurotoxin - Acute solvent syndrome
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,1-dichloro-2,2,3,3,3-pentafluoropropane can be estimated to be 700(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,1-dichloro-2,2,3,3,3-pentafluoropropane is expected to have low mobility in soil.
Environmental Bioconcentration
An estimated BCF of 58 was calculated for 1,1-dichloro-2,2,3,3,3-pentafluoropropane(SRC), using a log Kow of 3.2(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 1,1-dichloro-2,2,3,3,3-pentafluoropropane is estimated as 0.11 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,1-dichloro-2,2,3,3,3-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 5.7 days(SRC). 1,1-Dichloro-2,2,3,3,3-pentafluoropropane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,1-dichloro-2,2,3,3,3-pentafluoropropane from dry soil surfaces may exist(SRC) based upon a vapor pressure of 240 mm Hg(3).
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of 1,1-dichloro-2,2,3,3,3-pentafluoropropane with photochemically-produced hydroxyl radicals has been measured as 2.41X10-14 cu cm/molecule-sec at 25 °C(SRC)(1). This corresponds to an atmospheric half-life of about 3.6 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). 1,1-Dichloro-2,2,3,3,3-pentafluoropropane is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3). Photolysis of 1,1-dichloro-2,2,3,3,3-pentafluoropropane does not compete with hydroxyl radical reactions in the troposhere, but can become environmentally significant in the stratosphere where released chlorine radicals may participate in ozone-destroying reactions(4).
Environmental Fate/Exposure Summary
1,1-Dichloro-2,2,3,3,3-pentafluoropropane's (HCFC-225ca) 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 240 mm Hg at 25 °C indicates 1,1-dichloro-2,2,3,3,3-pentafluoropropane will exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,1-dichloro-2,2,3,3,3-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 3.6 years. Measured absorption coefficients for 1,1-dichloro-2,2,3,3,3-pentafluoropropane indicate that photolysis in the troposphere does not compete with removal by reaction with the hydroxyl radical. Stratospheric photolysis involving 1,1-dichloro-2,2,3,3,3-pentafluoropropane releases chlorine radicals which can participate in ozone destroying reactions. If released to soil, 1,1-dichloro-2,2,3,3,3-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 0.11 atm-cu m/mole. 1,1-Dichloro-2,2,3,3,3-pentafluoropropane may volatilize from dry soil surfaces based upon its vapor pressure. The rate of biodegradation is expected to be considerably slower than the rate of volatilization for 1,1-dichloro-2,2,3,3,3-pentafluoropropane released to soil or water. If released into water, 1,1-dichloro-2,2,3,3,3-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 58 suggests the potential for bioconcentration in aquatic organisms is moderate. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to 1,1-dichloro- 2,2,3,3,3-pentafluoropropane may occur through inhalation and dermal contact with this compound at workplaces where 1,1-dichloro-2,2,3,3,3-pentafluoropropane is produced or used. (SRC)
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 3082
- risk_code
- 20/21/22-59
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-36/37/39
- Giftige Stoffe Daten
- 422-56-0(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a cleaning agent (replacement for CFC 113); [HSDB]
Cleaning agent replacement for CFC 113
non-polymer PFAS -> Cleaning compositions -> Cleaning compositions in general
• Cleaning/washing agents [Ref: http://www.spin2000.net/spinmyphp/]
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