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| CAS No.: | 360-53-2 |
|---|---|
| Name: | 1-METHOXY-(PERFLUORO-2-METHYL-1-PROPENE) |
| Molecular Structure: | |
|
|
|
| Formula: | C5H3 F7 O |
| Molecular Weight: | 212.067 |
| Synonyms: | Ether,methyl 1,3,3,3-tetrafluoro-2-(trifluoromethyl)propenyl (6CI,7CI); Ether, methyltetrafluoro-2-(trifluoromethyl)propenyl (8CI);1,3,3,3-Tetrafluoro-1-methoxy-2-(trifluoromethyl)-1-propene;Heptafluoroisobutenyl methyl ether; Methyl perfluoroisobutenyl ether |
| Density: | 1.424g/cm3 |
| Boiling Point: | 91.7°Cat760mmHg |
| Flash Point: | 14.6°C |
| Hazard Symbols: |
|
| Risk Codes: | 23/24/25 |
| Safety: | Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F−. See also ETHERS. |
| PSA: | 9.23000 |
| LogP: | 2.93850 |
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Chemistry
Molecular Structure of Heptafluoroisobutylene methyl ether (CAS NO. 360-53-2):
IUPAC Name: 1,3,3,3-Tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
Molecular Formula: C5H3F7O
Molecular Weight: 212.065542 g/mol
XLogP3-AA: 3
H-Bond Donor: 0
H-Bond Acceptor: 8
Canonical SMILES: COC(=C(C(F)(F)F)C(F)(F)F)F
InChI: InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3
InChIKey: FSDLLONBRLBIBL-UHFFFAOYSA-N
Index of Refraction: 1.299
Molar Refractivity: 27.77 cm3
Molar Volume: 148.8 cm3
Surface Tension: 13.8 dyne/cm
Density: 1.424 g/cm3
Flash Point: 14.6 °C
Enthalpy of Vaporization: 31.79 kJ/mol
Boiling Point: 91.7 °C at 760 mmHg
Vapour Pressure: 60.3 mmHg at 25 °C
Water Solubility: 438.8 mg/L at 25 °C
Refractive Index: 1.317
BRN: 1787514
Toxicity Data With Reference
| 1. | orl-mus LD50:1070 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 14 (1969),114. | ||
| 2. | orl-rat LD50:1070 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 14 (1969),114. | ||
| 3. | ipr-mus LD50:66 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 12 (1968),486. | ||
| 4. | ivn-mus LD50:58 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 12 (1968),486. |
Safety Profile
Safety Information of Heptafluoroisobutylene methyl ether (CAS NO. 360-53-2):
Hazard Codes: T 
Hazard Note: Toxic
Risk Statements: 23/24/25
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 26-36-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2810
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F−. See also ETHERS.
Specification
Heptafluoroisobutylene methyl ether with cas registry number of 360-53-2 is also known as 4-01-00-03454 (Beilstein Handbook Reference) ; Ether, methyl 1,3,3,3-tetrafluoro-2-(trifluoromethyl)propenyl ; Methyl perfluoroisobutenyl ether ; 1-Propene, 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)- ; 1-Propene, 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)- (9CI) ; Ether, methyl heptafluoroisobutenyl ; Ether, methyl tetrafluoro-2-(trifluoromethyl)propenyl (8CI) .