Methyl 3-(trifluoromethyl)benzoate

Product Name: Methyl 3-(trifluoromethyl)benzoate (CAS NO.2557-13-3)

Molecular Formula: C₉H₇F₃O₂
Molecular Weight: 204.15g/mol
Mol File: 2557-13-3.mol
Boiling point: 208.6 °C at 760 mmHg
Storage Temperature: Flammables area
Flash Point: 70 °C
Density: 1.269 g/cm³
Refractive index: n20/D 1.453(lit.)
Index of Refraction: 1.447 
Molar Refractivity: 43 cm³ 
Molar Volume: 160.8 cm³ 
Surface Tension: 27.8 dyne/cm
Enthalpy of Vaporization: 44.49 kJ/mol
Vapour Pressure: 0.211 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Methyl 3-(trifluoromethyl)benzoate (CAS NO.2557-13-3):
  IUPAC Name: methyl 3-(trifluoromethyl)benzoate
  Canonical SMILES: COC(=O)C1=CC(=CC=C1)C(F)(F)F
  InChI: InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3 
  InChIKey: QQHNNQCWKYFNAC-UHFFFAOYSA-N
Product Categories: Trifluoromethylbenzene serise; Benzotrifluoride Series; C8 to C9; Carbonyl Compounds; Esters

Safety Information of Methyl 3-(trifluoromethyl)benzoate (CAS NO.2557-13-3):
Hazard Codes: Xi,F
Risk Statements:  10-36/37/38   
R10:Flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39-16
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. 
S37/39:Wear suitable gloves and eye/face protection. 
S16:Keep away from sources of ignition.
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
Hazard Note: Flammable/Irritant
HazardClass: 3.2
PackingGroup: III

 Methyl 3-(trifluoromethyl)benzoate , its CAS NO. is 2557-13-3, the synonym is Methyl 3-trifluoromethylbenzoate .