Introduction：Basic information about CAS 79-52-7|1,1,3-trichlorotrifluoroacetone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,1,3-trichlorotrifluoroacetone |
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| CAS Number | 79-52-7 | Molecular Weight | 215.38600 |
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| Density | 1.712 g/cm3 | Boiling Point | 85°C |
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| Molecular Formula | C3Cl3F3O | Melting Point | <-78ºC |
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| MSDS | / | Flash Point | 22.1ºC |
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Names
| Name | 1,1,3-trichloro-1,3,3-trifluoropropan-2-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.712 g/cm3 |
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| Boiling Point | 85°C |
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| Melting Point | <-78ºC |
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| Molecular Formula | C3Cl3F3O |
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| Molecular Weight | 215.38600 |
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| Flash Point | 22.1ºC |
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| Exact Mass | 213.89700 |
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| PSA | 17.07000 |
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| LogP | 2.48800 |
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| Index of Refraction | 1.386 |
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| InChIKey | QCVAFEQJWDOJLG-UHFFFAOYSA-N |
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| SMILES | O=C(C(F)(F)Cl)C(F)(Cl)Cl |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UC3850000
- CHEMICAL NAME :
- 2-Propanone, 1,1,3-trichloro-1,3,3-trifluoro-
- CAS REGISTRY NUMBER :
- 79-52-7
- BEILSTEIN REFERENCE NO. :
- 1707474
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C3-Cl3-F3-O
- MOLECULAR WEIGHT :
- 215.38
- WISWESSER LINE NOTATION :
- GXFGVXGFF
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 277 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,341,1964
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 450 ppm/3H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,341,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01752
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 770 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,603,1969
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Safety Information
| Hazard Codes | C: Corrosive; |
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| Risk Phrases | R34 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | 3265 |
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| RTECS | UC3850000 |
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| HS Code | 2914700090 |
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Customs
| HS Code | 2914700090 |
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| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| 1,1,3-Trifluoro-1,3,3-trichloroacetone |
| 1,1,3-trichlorotrifluoropropan-2-one |
| MFCD00039321 |
| 1,1,3-trichloro-1,3,3-trifluoroacetone |
| 1,1,3-trichloro-F-propanone |
| 3FK |
| 1,1,3-Trichlorotrifluoroacetone |
| 1,1,3-Trichloro-1,3,3-trifluoro-2-propanone |
| Acetone,1,1,3-trichloro-1,3,3-trifluoro |
| 1,1,3-trichloroperfluoropropanone |
| 1,1,3-trifluorotrichloro-2-propanone |
