Basic information
- Name:
3-(Trifluoromethyl)benzaldehyde
- CAS No.:
454-89-7
- Molecular Structure:
- Formula:
- C8H5F3O
- Molecular Weight:
- 174.12
- Synonyms:
- Benzaldehyde, 3-(trifluoromethyl)-;a,a,a-trifluoro-m-tolualdehyde;alpha,alpha,alpha-Trifluoro-3-tolualdehyde;m-(Trifluoromethyl)benzaldehyde;m-trifluoromethylbenzaldehyde;α,α,α-trifluoro-3-tolualdehyde;Alpha,Alpha,Alpha-Trifluoro-m-tolualdehyde;3-Trifluoromethyl benzaldehyde;
- EINECS:
- 207-228-1
- Density:
- 1.293 g/cm3
- Boiling Point:
- 176.3 °C at 760 mmHg
- Flash Point:
- 68.3 °C
- Solubility:
- 457 mg/L in water
- Appearance:
- clear very slight orange
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Chemistry
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
Safety Profile
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
Specification
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 .
