1,3-Dichloro-1,1,2,2,3-pentafluoropropane

HCID 62353CAS 507-55-1

Basic information

Standard SMILES
FC(Cl)C(F)(F)C(F)(F)Cl
InChIKey
UJIGKESMIPTWJH-UHFFFAOYSA-N
Molecular formula
C3HCl2F5
Average molar mass
202.93 g/mol
Monoisotopic mass
201.9375462

Names & identifiers

Preferred name
1,3-Dichloro-1,1,2,2,3-pentafluoropropane
IUPAC
1,3-dichloro-1,1,2,2,3-pentafluoropropane
English name
1,3-DICHLORO-1,1,2,2,3-PENTAFLUOROPROPANE
Molecular formula
C3HCl2F5
Molecular weight
202.94

Names & synonyms

1,3-Dichloro-1,1,2,2,3-pentafluoropropaneHCFC 225cbPropane, 1,3-dichloro-1,1,2,2,3-pentafluoro-HSDB 6977EINECS 208-076-9UNII-G6975BUY8ICCRIS 8667G6975BUY8IR-225CBASAHIKLIN AK 225GHFC-225BCAK-225CB
Show more names
r225ar225cbhcfc225bcHCFC-225CBH-FCKW-225cb1,3-Dichlor-1,1,2,2,3-pentafluorpropan1,3-dichloro-1,1,2,2,3-pentafluoro-propan1,3-dichloro-1,2,2,3,3-pentafluoro-propaneHydrochlorofluorocarbon-225cb (HCFC-225cb)
DTXSID60420281,1,2,2,3-pentafluoro-1,3-dichloropropaneAK-225GR-225ARefChem:72612DTXCID4022028UN30821,3Dichloro1,2,2,3,3pentafluoropropane

Database identifiers

CAS
507-55-1
PubChem CID
62353
DTXSID
DTXSID6042028
UNII
G6975BUY8I
EC Number
208-076-9
Nikkaji
J182.263B

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

LogPlog Kow = 3.1
DensityLiquid density= 1.56 g/ml @ 25 °C
Boiling Point56.1 °C
Melting Point-97 °C
Vapor Pressure · 2 items

286.0 [mmHg]

2.86X10+2 mm Hg @ 25 °C

Refractive IndexLiquid index of refraction= 1.3262 @ 25 °C

Physicochemical properties

Melting point
-96.9 °C · -96.9°C
Boiling point
56 °C · 56°C
Density
1 · 1,56 g/cm3
refractive index
1.326 · 1.326
Henry's Law Constant
1.1 · 1.1×10-4 mol/(m3Pa) at 25℃, Kutsuna (2013)
FDA UNII
6975 BUY8I · G6975BUY8I

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory Information · 2 items

Chemical: Propane, 1,3-dichloro-1,1,2,2,3-pentafluoro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

DOT LabelClass 9
Fire Hazards · 1 item

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 · 1 item

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)

Hazards SummarySee CHLOROFLUOROCARBONS.
Reactive GroupFluorinated Organic Compounds

Safety & protection

Fire Fighting · 1 item

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)

First AidExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:;Refer to the "General First Aid" section. (ERG, 2024)
Nonfire Spill Response · 1 item

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 · 1 item

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) · 1 item

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)

Toxicology

Environmental Fate · 3 items

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.

Adverse EffectsNeurotoxin - Acute solvent syndrome
Soil Adsorption/Mobility · 1 item

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.

Artificial Pollution Sources1,3-Dichloro-1,1,2,2,3-pentafluoropropane's (HCFC-225cb) 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).
Environmental Biodegradation1,3-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 1,3-dichloro-1,1,2,2,3-pentafluoropropane is not expected to biodegrade rapidly(1).
Environmental Bioconcentration · 1 item

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).

Regulatory information

Regulatory Information · 2 items

Chemical: Propane, 1,3-dichloro-1,1,2,2,3-pentafluoro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca
TSCA listed
ridadr
3082
risk_code
20/21/22-59
hazard_code
Xi
hazard_note
Irritant
safety_code
23-36/37/39

Chemistry & industry

Uses & manufacturing

Uses · 4 items

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

Methods of ManufacturingManufactured by Lewis acid promoted addition of HCFC-21 to tetrafluoroethylene.
General Manufacturing InformationPropane, 1,3-dichloro-1,1,2,2,3-pentafluoro-: ACTIVE

Applications

General DescriptionColorless odorless liquid. Nonflammable.

Related reactions

9 records

Linked notes

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