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454-89-7

Basic Information
CAS No.: 454-89-7
Name: 3-(Trifluoromethyl)benzaldehyde
Article Data: 90
Molecular Structure:
Molecular Structure of 454-89-7 (3-(Trifluoromethyl)benzaldehyde)
Formula: C8H5F3O
Molecular Weight: 174.122
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 17.07000
LogP: 2.51790
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  • 3-(Trifluoromethyl)benzaldehyde

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    454-89-7

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  • 3-(Trifluoromethyl)benzaldehyde

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  • 3-(Trifluoromethyl)benzaldehyde CAS NO.454-89-7  CAS NO.454-89-7

  • Casno:

    454-89-7

    3-(Trifluoromethyl)benzaldehyde CAS NO.454-89-7 CAS NO.454-89-7

    Min.Order: 1 Metric Ton

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  • 3-(trifluoromethyl)benzaldehyde

  • Casno:

    454-89-7

    3-(trifluoromethyl)benzaldehyde

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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: IrritantXi
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 .