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360-53-2

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Basic Information
CAS No.: 360-53-2
Name: 1-METHOXY-(PERFLUORO-2-METHYL-1-PROPENE)
Article Data: 11
Molecular Structure:
Molecular Structure of 360-53-2 (1-METHOXY-(PERFLUORO-2-METHYL-1-PROPENE))
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 Toxic
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) .