Product Name

  • Name

    1,4-Di(2,2,2-trifluoroethoxy)benzene

  • EINECS 266-304-2
  • CAS No. 66300-61-6
  • Article Data10
  • CAS DataBase
  • Density 1.349 g/cm3
  • Solubility
  • Melting Point 71-73°C
  • Formula C10H8F6O2
  • Boiling Point 216.234 °C at 760 mmHg
  • Molecular Weight 274.163
  • Flash Point 91.283 °C
  • Transport Information
  • Appearance
  • Safety 22-26-36/37/39
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 66300-61-6 (1,4-Di(2,2,2-trifluoroethoxy)benzene)
  • Hazard Symbols HarmfulXn
  • Synonyms 1,4-Bis(2,2,2-trifluoroethoxy)benzene;
  • PSA 18.46000
  • LogP 3.56880

1,4-Di(2,2,2-trifluoroethoxy)benzene Specification

The Benzene,1,4-bis(2,2,2-trifluoroethoxy)-, with CAS registry number 66300-61-6, has the systematic name of 1,4-bis(2,2,2-trifluoroethoxy)benzene. And its IUPAC name is the same one. The main use of this chemical is for the pharmaceutical intermediate and organic synthesis. What's more, its EINECS is 266-304-2.

Physical properties of Benzene,1,4-bis(2,2,2-trifluoroethoxy)-: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.404; (8)Molar Refractivity: 49.78 cm3; (9)Molar Volume: 203.2 cm3; (10)Polarizability: 19.73×10-24cm3; (11)Surface Tension: 23.4 dyne/cm; (12)Enthalpy of Vaporization: 43.41 kJ/mol; (13)Vapour Pressure: 0.208 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed, so do not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COc1ccc(OCC(F)(F)F)cc1
(2)InChI: InChI=1/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2
(3)InChIKey: ZHUBFESHPMGIDZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2
(5)Std. InChIKey: ZHUBFESHPMGIDZ-UHFFFAOYSA-N

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