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685-09-6

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Basic Information
CAS No.: 685-09-6
Name: METHYL PENTAFLUOROMETHACRYLATE
Article Data: 7
Molecular Structure:
Molecular Structure of 685-09-6 (METHYL PENTAFLUOROMETHACRYLATE)
Formula: C5H3 F5 O2
Molecular Weight: 190.07
Synonyms: Acrylicacid, 3,3-difluoro-2-(trifluoromethyl)-, methyl ester (7CI,8CI); Methyl3,3-difluoro-2-(trifluoromethyl)acrylate; Methyl perfluoromethacrylate
Density: 1.407g/cm3
Boiling Point: 94 °C
Flash Point: 21.6°C
Hazard Symbols: F,Xi
Risk Codes: R36/37/38
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of F−. See also FLUORIDES.
PSA: 26.30000
LogP: 1.87230
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Chemistry

Molecule structure of Methyl perfluoromethacrylate(CAS NO.685-09-6) :

IUPAC Name: methyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate 
Molecular Weight: 190.068136 g/mol
Molecular Formula: C5H3F5O2 
Density: 1.407 g/cm3 
Boiling Point: 101.5 °C at 760 mmHg
 Flash Point: 21.6 °C
Index of Refraction: 1.329
Molar Refractivity: 27.51 cm3
Molar Volume: 135 cm3
Polarizability: 10.9×10-24 cm3
Surface Tension: 17.9 dyne/cm 
Enthalpy of Vaporization: 34.07 kJ/mol
Vapour Pressure: 35 mmHg at 25 °C
XLogP3-AA: 1.7
H-Bond Acceptor: 7
Rotatable Bond Count: 2
Exact Mass: 190.00532
MonoIsotopic Mass: 190.00532
Topological Polar Surface Area: 26.3
Heavy Atom Count: 12
Complexity: 212
Canonical SMILES: COC(=O)C(=C(F)F)C(F)(F)F
InChI: InChI=1S/C5H3F5O2/c1-12-4(11)2(3(6)7)5(8,9)10/h1H3
InChIKey: MRJFAPJDIVTPJG-UHFFFAOYSA-N
Product Categories of Methyl perfluoromethacrylate(CAS NO.685-09-6) : monomer 
Storage Temp.: keep cold

Toxicity Data With Reference

1.    

orl-mus LD50:220 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 14 (1969),114.
2.    

ipr-mus LD50:17 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 14 (1969),114.
3.    

ivn-mus LD50:20 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 14 (1969),114.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of F−. See also FLUORIDES.
Hazard Codes: FlammableF, IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3265
Hazard Note: Irritant/Keep Cold

Specification

 Methyl perfluoromethacrylate(CAS NO.685-09-6) is also called BRN 1566924 ; Methacrylic acid, pentafluoro-, methyl ester ; Methylester kyseliny pentafluormethakrylove ; Methylester kyseliny pentafluormethakrylove [Czech] ; Pentafluoromethacrylic acid methyl ester ; 2-Propenoic acid, 3,3-difluoro-2-(trifluoromethyl)-, methyl ester(9CI) ; Acrylic acid, 3,3-difluoro-2-(trifluoromethyl)-, methyl ester .