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| Name |
Methyl hexafluoro-2-bromobutyrate |
EINECS | N/A |
| CAS No. | 63867-09-4 | Density | 1.799g/cm3 |
| PSA | 26.30000 | LogP | 2.41770 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H3BrF6O2 | Boiling Point | 115.2°Cat760mmHg |
| Molecular Weight | 288.99 | Flash Point | 23.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Br− and F−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
BUTYRIC ACID,2-BROMO-2,3,3,4,4,4-HEXAFLUORO-,METHYL ESTER;Methyl hexafluoro-2-bromobutyrate; |
Methyl hexafluoro-2-bromobutyrate Chemical Properties
IUPAC Name: methyl 2-bromo-2,3,3,4,4,4-hexafluorobutanoate
Empirical Formula: C5H3BrF6O2
Molecular Weight: 288.9705g/mol
Index of Refraction: 1.361
Molar Refractivity: 35.59 cm3
Molar Volume: 160.5 cm3
Polarizability: 14.11×10-24cm3
Surface Tension: 22.6 dyne/cm
Density: 1.799 g/cm3
Flash Point: 23.5 °C
Enthalpy of Vaporization: 35.36 kJ/mol
Boiling Point: 115.2 °C at 760 mmHg
Vapour Pressure: 19.2 mmHg at 25°C
Canonical SMILES: COC(=O)C(C(C(F)(F)F)(F)F)(F)Br
InChI: InChI=1S/C5H3BrF6O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey: WICGPZDMJXOYON-UHFFFAOYSA-N
Structure of Methyl hexafluoro-2-bromobutyrate (CAS NO.63867-09-4):
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Methyl hexafluoro-2-bromobutyrate Toxicity Data With Reference
| 1. | orl-mus LD50:980 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 12 (1968),486. | ||
| 2. | ipr-mus LD50:33 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 14 (1969),114. | ||
| 3. | orl-mus LD50:980 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 14 (1969),114. |
Methyl hexafluoro-2-bromobutyrate Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Br− and F−.
Methyl hexafluoro-2-bromobutyrate Specification
Methyl hexafluoro-2-bromobutyrate , its cas register number is 63867-09-4. It also can be called CID44840 ; LS-47882 ; Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester .
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