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31083-13-3

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Basic Information
CAS No.: 31083-13-3
Name: ETHYL 2-(TRIFLUOROMETHYL)BENZOATE
Molecular Structure:
Molecular Structure of 31083-13-3 (ETHYL 2-(TRIFLUOROMETHYL)BENZOATE)
Formula: C10H9 F3 O2
Molecular Weight: 218.17
Synonyms: Aceticacid, trifluoro-, 2-ethylphenyl ester (9CI); Acetic acid, trifluoro-,o-ethylphenyl ester (8CI)
Density: 1,459 g/cm3
Boiling Point: 90-91°C 10mm
Risk Codes: R10
PSA: 26.30000
LogP: 2.88210
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Chemistry

Molecule structure of Ethyl 2-(trifluoromethyl)benzoate (CAS NO.31083-13-3) :

IUPAC Name: ethyl 2-(trifluoromethyl)benzoate 
Molecular Weight: 218.17247 g/mol
Molecular Formula: C10H9F3O2
Density: 1.23 g/cm3
Boiling Point: 238 °C at 760 mmHg
Flash Point: 83.2 °C   
Molar Volume: 177.3 cm3
Polarizability: 18.88*10-24 cm3
Surface Tension: 28.3 dyne/cm
Enthalpy of Vaporization: 47.49 kJ/mol
Vapour Pressure: 0.0434 mmHg at 25 °C 
XLogP3: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 218.055464
MonoIsotopic Mass: 218.055464
Topological Polar Surface Area: 26.3
Heavy Atom Count: 15
Complexity: 225
Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(F)(F)F
InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
InChIKey of Ethyl 2-(trifluoromethyl)benzoate (CAS NO.31083-13-3) : BQLMZZVRHPZRBQ-UHFFFAOYSA-N

Safety Profile

Hazard Codes: FlammableF
Risk Statements: 10
R10: Flammable
Safety Statements: 16
S16: Keep away from sources of ignition
RIDADR: 3272

Specification

 Ethyl 2-(trifluoromethyl)benzoate (CAS NO.31083-13-3) is also called Rarechem al bi 0046 ; 2-(Trifluoromethyl)benzoic acid ethyl ester ; Trifluoroacetic acid 2-ethylphenyl ester .