Introduction：Basic information about CAS 360-54-3|Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate |
|---|
| CAS Number | 360-54-3 | Molecular Weight | 210.07400 |
|---|
| Density | 1.604 | Boiling Point | 90-91ºC |
|---|
| Molecular Formula | C5H4F6O2 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 60ºC |
|---|
Names
| Name | methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.604 |
|---|
| Boiling Point | 90-91ºC |
|---|
| Molecular Formula | C5H4F6O2 |
|---|
| Molecular Weight | 210.07400 |
|---|
| Flash Point | 60ºC |
|---|
| Exact Mass | 210.01200 |
|---|
| PSA | 26.30000 |
|---|
| LogP | 1.90020 |
|---|
| Index of Refraction | 1.269 |
|---|
| InChIKey | JGGBVFLRNNDHCM-UHFFFAOYSA-N |
|---|
| SMILES | COC(=O)C(C(F)(F)F)C(F)(F)F |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NQ4690000
- CHEMICAL NAME :
- Isobutyric acid, hexafluoro-, methyl ester
- CAS REGISTRY NUMBER :
- 360-54-3
- BEILSTEIN REFERENCE NO. :
- 1787515
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C5-H4-F6-O2
- MOLECULAR WEIGHT :
- 210.09
- WISWESSER LINE NOTATION :
- FXFFYXFFFVO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 17 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969
|
Safety Information
| Risk Phrases | R36/37/38 |
|---|
| Safety Phrases | S16;S26;S36/S37/S39 |
|---|
| RIDADR | UN 3272 |
|---|
| HS Code | 2915900090 |
|---|
Customs
| HS Code | 2915900090 |
|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
|---|
Synonyms
| methyl 2-trifluoromethyl-3,3,3-trifluoropropanoate |
| Methyl hexafluoroisobutyrate |
| ISOBUTYRIC ACID,HEXAFLUORO-,METHYL ESTER |
| 2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester |
| PC5184E |
| methyl 2-hydrohexafluoroisobutyrate |
| Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate |
| 2-hydrohexafluoroisobutyric acid methyl ester |
| Methyl 2,2-Bis(trifluoromethyl)acetate |
