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Basic information

  • Name:
  • 4-(Trifluoromethyl)benzaldehyde

  • CAS No.:
  • 455-19-6

  • Molecular Structure:
  • Formula:
  • C8H5F3O
  • Molecular Weight:
  • 174.12
  • Synonyms:
  • p-(Trifluoromethyl)benzaldehyde;Benzaldehyde, 4-(trifluoromethyl)-;p-trifluoromethyl benzaldehyde;4-Trifluoromethylbenzaldehyde;alpha,alpha,alpha-Trifluoro-p-tolualdehyde;p-Trifluoridemethylbenzaldehyde;
  • EINECS:
  • 207-240-7
  • Density:
  • 1.293 g/cm3
  • Melting Point:
  • 1-2 °C
  • Boiling Point:
  • 176.4 °C at 760 mmHg
  • Flash Point:
  • 65.6 °C
  • Appearance:
  • Clear colorless to yellow liquid
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-36 Details

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Chemistry

IUPAC Name: 4-(trifluoromethyl)benzaldehyde 
Molecular Formula: C8H5F3
Molecular Weight: 174.11991g/mol
EINECS: 207-240-7 
Structure of 4-(Trifluoromethyl)benzaldehyde (CAS NO.455-19-6):

Melting Point: 1-2°C 
Boiling Point: 176.4 °C at 760 mmHg
Flash Point: 65.6 °C
Index of Refraction: 1.476
Molar Refractivity: 37.98 cm3
Molar Volume: 134.6 cm3
Polarizability: 15.05×10-24cm3
Surface Tension: 27.9 dyne/cm
Density: 1.293 g/cm3
Enthalpy of Vaporization: 41.27 kJ/mol 
Vapour Pressure: 1.09 mmHg at 25°C
Sensitive: Air Sensitive 
Product Categories: Pharmaceutical Intermediates;Aromatic Aldehydes & Derivatives(substituted);Benzaldehyde;Miscellaneous 
Canonical SMILES: C1=CC(=CC=C1C=O)C(F)(F)F
InChI: InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChIKey: BEOBZEOPTQQELP-UHFFFAOYSA-N

Toxicity Data With Reference

TSCA : T

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
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT, AIR SENSITIVE
HS Code: 29130000

Specification

  4-(Trifluoromethyl)benzaldehyde , its cas register number is 455-19-6. It also can be called 4-(trifluoromethyl)-benzaldehyd ; Benzaldehyde, 4-(trifluoromethyl)- ; p-(Trifluoromethyl)benzaldehyde . 4-(Trifluoromethyl)benzaldehyde (CAS NO.455-19-6) is a clear colorless to yellow liquid.

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