3,3-Dichloro-1,1,1,2,2-pentafluoropropane
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3,3-Dichloro-1,1,1,2,2-pentafluoropropane
structure -
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CAS No:
422-56-0
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Formula:
C3HCl2F5
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Chemical Name:
3,3-Dichloro-1,1,1,2,2-pentafluoropropane
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Synonyms:
Propane,3,3-dichloro-1,1,1,2,2-pentafluoro-;3,3-Dichloro-1,1,1,2,2-pentafluoropropane;1,1-Dichloro-2,2,3,3,3-pentafluoropropane;R 225ca;HCFC 225ca;Fron 225;1,1,1,2,2-Pentafluoro-3,3-dichloropropane;R 225b
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CAS No:
Description
DICHLOROPENTAFLUOROPROPANE is a colorless odorless liquid. Nonflammable.
3,3-dichloro-1,1,1,2,2-pentafluoropropane is a colorless odorless liquid. Nonflammable.|Dichloropentafluoropropane is a colorless odorless liquid. Nonflammable.
3,3-dichloro-1,1,1,2,2-pentafluoropropane is a colorless odorless liquid. Nonflammable.|Dichloropentafluoropropane is a colorless odorless liquid. Nonflammable.
3,3-Dichloro-1,1,1,2,2-pentafluoropropane Basic Attributes
202.94
202.94
207-016-9
0976Z0010M
3082
DTXSID1042027
2903750010
Characteristics
0
3.2
3,3-dichloro-1,1,1,2,2-pentafluoropropane is a colorless odorless liquid. Nonflammable.
1.543 g/cm3 @ Temp: 25 °C
-94 °C
51.1 °C
1.3248
240 mm Hg at 25 deg C
2.50e-14 cm3/molecule*sec
0.50 atm-m3/mole
Slightly soluble in water.|Insoluble in water
Fluorinated Organic Compounds
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.
Safety Information
3082
20/21/22-59
23-36/37/39
Xi
Irritant
P502, P502
H420
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, be aware of possible short circuiting as this product is transported in a charged state. (ERG, 2016)
|Warning|H420: Harms public health and the environment by destroying ozone in the upper atmosphere [Warning Hazardous to the ozone layer]|P50, and 502
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: 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. Move containers from fire area if you can do it without risk. Dike fire-control water 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 engulfed in fire. (ERG, 2016)
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: As an 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, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck 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, 2016)
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. Avoid inhalation of asbestos dust. 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, 2016)
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)
Toxicity
1,1-Dichloro-2,2,3,3,3-pentafluoropropane's production and use as a cleaning agent replacement for CFC 113(1) may result in its release to the environment through various waste streams(SRC).
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.
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).
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).
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.
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).
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)
Drug Information
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 suffocation. Runoff from fire control may cause pollution. (ERG, 2016)
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. (ERG, 2016)
3,3-Dichloro-1,1,1,2,2-pentafluoropropane Use and Manufacturing
Manufactured by Lewis acid promoted addition of HCFC-21 to tetrafluoroethylene.
Cleaning agent replacement for CFC 113
< 25,000 lb
Propane, 3,3-dichloro-1,1,1,2,2-pentafluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:202.93
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:201.9375462
Monoisotopic Mass:201.9375462
Heavy Atom Count:10
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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