Product Name

  • Name

    5-Chloro-2-(trifluoromethoxy)benzaldehyde

  • EINECS
  • CAS No. 1092461-15-8
  • Density 1.463 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H4ClF3O2
  • Boiling Point 221.139 °C at 760 mmHg
  • Molecular Weight 224.56
  • Flash Point 89.511 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1092461-15-8 (5-Chloro-2-(trifluoromethoxy)benzaldehyde)
  • Hazard Symbols
  • Synonyms 5-chloro-2-(trifluoromethoxy)benzaldehyde
  • PSA 26.30000
  • LogP 3.05110

5-Chloro-2-(trifluoromethoxy)benzaldehyde Specification

This product is an organic compound with the formula C8H4ClF3O2. The IUPAC name of this chemical is 5-chloro-2-(trifluoromethoxy)benzaldehyde. With the CAS registry number 1092461-15-8, it is also named as Benzaldehyde, 5-chloro-2-(trifluoromethoxy)-. In addition, the molecular weight is 224.56.

The other characteristics of 5-Chloro-2-(trifluoromethoxy)benzaldehyde can be summarized as: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.857; (4)ACD/LogD (pH 7.4): 3.857; (5)ACD/BCF (pH 5.5): 502.746; (6)ACD/BCF (pH 7.4): 502.746; (7)ACD/KOC (pH 5.5): 2986.952; (8)ACD/KOC (pH 7.4): 2986.952; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 45.036 cm3; (15)Molar Volume: 153.444 cm3; (16)Polarizability: 17.854×10-24 cm3; (17)Surface Tension: 33.258 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 89.511 °C; (20)Enthalpy of Vaporization: 45.758 kJ/mol; (21)Boiling Point: 221.139 °C at 760 mmHg; (22)Vapour Pressure: 0.109 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:c1cc(c(cc1Cl)C=O)OC(F)(F)F
2. InChI:InChI=1/C8H4ClF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-4H
3. InChIKey:VJRCCSALVWMZAN-UHFFFAOYAA
4. Std. InChI:InChI=1S/C8H4ClF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-4H 
5. Std. InChIKey:VJRCCSALVWMZAN-UHFFFAOYSA-N

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