Introduction：Basic information about CAS 5838-00-6|dimethyl 2-(trifluoromethyl)propanedioate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | dimethyl 2-(trifluoromethyl)propanedioate |
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| CAS Number | 5838-00-6 | Molecular Weight | 200.11300 |
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| Density | 1.322g/cm3 | Boiling Point | 172.7ºC at 760mmHg |
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| Molecular Formula | C6H7F3O4 | Melting Point | / |
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| MSDS | / | Flash Point | 57.2ºC |
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Names
| Name | dimethyl 2-(trifluoromethyl)propanedioate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.322g/cm3 |
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| Boiling Point | 172.7ºC at 760mmHg |
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| Molecular Formula | C6H7F3O4 |
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| Molecular Weight | 200.11300 |
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| Flash Point | 57.2ºC |
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| Exact Mass | 200.03000 |
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| PSA | 52.60000 |
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| LogP | 0.51090 |
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| Index of Refraction | 1.365 |
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| InChIKey | ICCFDUWNCARZAE-UHFFFAOYSA-N |
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| SMILES | COC(=O)C(C(=O)OC)C(F)(F)F |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OO1860000
- CHEMICAL NAME :
- Malonic acid, (trifluoromethyl)-, dimethyl ester
- CAS REGISTRY NUMBER :
- 5838-00-6
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H7-F3-O4
- MOLECULAR WEIGHT :
- 200.13
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1212,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1212,1970
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Synonyms
| dimethyl trifluoromethylmalonate |
| Dimethyl-trifluormethyl-malonat |
| dimethyl 2-trifluoromethylmalonate |
| Trifluormethyl-malonsaeure-dimethylester |
| Trifluoromethylmalonsaeure-dimethylester |
