1,1,1,2,2-ペンタフルオロ-3,3-ジクロロプロパン

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

HCID 61112

基本情報

CAS
127564-92-5
標準SMILES
FC(F)(F)C(F)(F)C(Cl)Cl
InChIKey
COAUHYBSXMIJDK-UHFFFAOYSA-N
分子式
C3HCl2F5
平均分子量
202.93 g/mol
単同位体質量
201.93754649

概要

3,3-dichloro-1,1,1,2,2-pentafluoropropane is a colorless odorless liquid. Nonflammable.

名称と識別子

優先名称
3,3-Dichloro-1,1,1,2,2-pentafluoropropane
IUPAC
3,3-dichloro-1,1,1,2,2-pentafluoropropane
現地名
1,1,1,2,2-ペンタフルオロ-3,3-ジクロロプロパン
英語名
3,3-Dichloro-1,1,1,2,2-pentafluoropropane
分子式
C3HCl2F5
分子量
202.94

名称と別名

3,3-DICHLORO-1,1,1,2,2-PENTAFLUOROPROPANE422-56-0HCFC-225ca1,1-Dichloro-2,2,3,3,3-pentafluoropropanePropane, 3,3-dichloro-1,1,1,2,2-pentafluoro-DTXSID1042027RefChem:1065592DTXCID9022027207-016-9127564-92-5Propane, dichloropentafluoro-DICHLOROPENTAFLUOROPROPANE
名称をさらに表示
3,3-ジクロロ-1,1,1,2,2-ペンタフルオロプロパン1,1-ジクロロ-2,2,3,3,3-ペンタフルオロプロパン1,1,1,2,2-ペンタフルオロ-3,3-ジクロロプロパン1,3ジクロロペンタフルオロプロパン1,1ジクロロ2,2,3,3,3ペンタフルオロプロパン3,3-ジクロロ-1,1,1,2,2-ペンタフルオロプロパン (HCFC 225ca)3,3-ジクロロ-1,1,1,2,2-ペンタフルオロプロパン(HCFC-225ca)HCFC-225CA/CBr225br225cafron225freon225HFA-225CAH-FCKW-225caDICHLOROPENTAFLUOROPROPANE, TECH.
MFCD001980190976Z0010MFron 225Dichloropentafluoropropane(s), Technical grade (HCFC-225ca/cb/aa)HCFC 225caR 225caHSDB 6976R 225b

データベース識別子

CAS
127564-92-5、422-56-0
PubChem CID
61112
DTXSID
DTXSID1042027
UNII
0976Z0010M
EC Number
207-016-9
Nikkaji
J196.090C

物性

構造計算による物性

XLogP
3.4
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
1
重原子数
10

実験および物理化学的性質

PFAS · 5 件

PFAS -> Other/unspecified

PFAS -> Other Nonpolymers

PFAS -> non-polymer

PFAS -> PFAS with analytical method available

PFAS -> Other/unspecified

Solvents · 2 件

Solvents -> Chlorofluorocarbons

Solvents -> Chlorofluorocarbons

SpringerMaterials PropertiesDensity
LogPlog Kow = 3.2
DensityLiquid density= 1.55 g/ml @ 25 °C
Boiling Point51.1 °C

物理化学的性質

融点
-94 °C · -94°C
沸点
51 °C · 51°C
比重(密度)
1.55 · 1.55
屈折率
1.3248 · 1.3248
Henry's Law Constant
9.8 · 9.8×10-5 mol/(m3Pa) at 25℃, Kutsuna (2013)
EPAの化学物質情報
-225 ca · HCFC-225ca (422-56-0)

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 3 件

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 · 2 件

Class 9

Class 9

Fire Hazards · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Health Hazards · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Hazards Summary · 2 件

See CHLOROFLUOROCARBONS.

A mild eye irritant; May have narcotic effects by inhalation; [Alfa Aesar MSDS]

Reactive Group · 2 件

Fluorinated Organic Compounds

Fluorinated Organic Compounds

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

First Aid · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Nonfire Spill Response · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Personal Protective Equipment (PPE) · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

毒性情報

Environmental Fate · 3 件

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 · 2 件

Neurotoxin - Acute solvent syndrome

Neurotoxin - Acute solvent syndrome

Soil Adsorption/Mobility · 1 件

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.

Artificial Pollution Sources1,1-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).
Environmental Biodegradation1,1-Dichloro-2,2,3,3,3-pentafluoropropane, present at 9.3 mg/l, reached 7% of it 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(1).
Environmental Bioconcentration · 1 件

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).

安全データ

tsca
TSCA listed
ridadr
3082
risk_code
20/21/22-59
化審法
新規公示化学物質(2011年3月31日以前届出)
hazard_code
Xi
hazard_note
Irritant

化学と産業

用途と製造

Uses · 4 件

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/]

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

応用分野

一般的な説明Colorless odorless liquid. Nonflammable.

関連反応

10 件

化合物ノート

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