The Molecular Structure of 3-(Trifluoromethyl)benzaldehyde (CAS NO.454-89-7):

Empirical Formula: C₈H₅F₃O
Molecular Weight: 174.1199
IUPAC Name: 3-(trifluoromethyl)benzaldehyde  
Appearance:  clear colourless to very slightly orange liquid
Product Categories: Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;Benzotrifluoride Series;3-(Trifluoromethyl)benzaldehyde
Nominal Mass: 174 Da
Average Mass: 174.1199 Da
Monoisotopic Mass: 174.029249 Da 
Index of Refraction: 1.476
Molar Refractivity: 37.98 cm³
Molar Volume: 134.6 cm³
Surface Tension: 27.9 dyne/cm
Density: 1.293 g/cm³
Flash Point: 68.3 °C
Enthalpy of Vaporization: 41.26 kJ/mol
Boiling Point: 176.3 °C at 760 mmHg
Vapour Pressure: 1.1 mmHg at 25°C 
Refractive index: n20/D 1.465(lit.) 
Sensitive: Air Sensitive
InChI
InChI=1/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
Smiles
O=Cc1cccc(C(F)(F)F)c1 
log P (octanol-water): 2.47
Water Solubility: 457 mg/L
Vapor Pressure: 0.677 mm Hg at 25°C 
Henry's Law Constant:1.17E-04 atm-m³/mole at 25°C 
Atmospheric OH Rate Constant: 1.70E-11 cm³/molecule-sec at 25°C 
EINECS: 207-228-1  

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
F: 10-23
F10: F 10 Keep under argon
F23: Sensitive to air
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT

 3-(Trifluoromethyl)benzaldehyde (CAS NO.454-89-7) is also called as Benzaldehyde, 3-(trifluoromethyl)- ; alpha,alpha,alpha-Trifluoro-3-tolualdehyde ; 3-Trifluormethylbenzaldehyde ; 3-(Trifluoromethyl)benzaldehyde ; A,A,A-trifluoro-3-tolualdehyde ; A,A,A -trifluoro-m-tolualdehyde ; Alpha,alpha,alpha-trifluoro-3-tolualdehyde ; Alpha,alpha,alpha-trifluoro-m-tolualdehyde ; Benzotrifluoride-3-carbaldehyde .