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CAS No.: | 571-55-1 |
---|---|
Name: | Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C9H11 F3 O4 |
Molecular Weight: | 240.179 |
Synonyms: | Acetoaceticacid, 2-(ethoxymethylene)-4,4,4-trifluoro-, ethyl ester (8CI); 2-Ethoxymethylene-3-oxo-4,4,4-trifluorobutyricacid ethyl ester; 2-Ethoxymethylene-4,4,4-trifluoroacetoacetic acid ethylester; Ethyl 2-(Ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate; Ethyl2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate; Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate;Ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate; Ethyl3-(ethyloxy)-2-(trifluoroacetyl)-2-propenoate |
Density: | 1.235 |
Boiling Point: | 80-82 ºC (1 mmHg) |
Flash Point: | 104 ºC |
Hazard Symbols: | |
Risk Codes: | R22;R36/37/38 |
PSA: | 52.60000 |
LogP: | 1.60130 |
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Molecular Structure of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS NO.571-55-1):
IUPAC Name: Ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
Molecular Formula: C9H11F3O4
Molecular Weight: 240.18
Index of Refraction: 1.406
Molar Refractivity: 47.65 cm3
Molar Volume: 193.8 cm3
Surface Tension: 28.1 dyne/cm
Density: 1.238 g/cm3
Flash Point: 79.7 °C
Enthalpy of Vaporization: 44.79 kJ/mol
Boiling Point: 211.6 °C at 760 mmHg
Vapour Pressure: 0.181 mmHg at 25 °C
Product Categories: Small molecule; C8 to C9; Carbonyl Compounds; Esters
Canonical SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
Isomeric SMILES: CCO/C=C(\C(=O)C(F)(F)F)/C(=O)OCC
InChI: InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+
InChIKey: XNGGOXOLHQANRB-AATRIKPKSA-N
Safety Information of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS NO.571-55-1):
Hazard Codes: Xn,Xi
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36/37/39-23
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S23:Do not breathe vapour.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT
Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS NO.571-55-1), its Synonyms are Butanoic acid,2-(ethoxymethylene)-4,4,4-trifluoro-3-oxo-, ethyl ester ; Acetoaceticacid, 2-(ethoxymethylene)-4,4,4-trifluoro-, ethyl ester (8CI) ; 2-Ethoxymethylene-3-oxo-4,4,4-trifluorobutyricacid ethyl ester ; 2-Ethoxymethylene-4,4,4-trifluoroacetoacetic acid ethylester ; Ethyl 2-(Ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate ; Ethyl 3-ethoxy-2-(2,2,2-trifluoroacetyl)acrylate .