Product Name

  • Name

    2-(1,1,2,2-TETRAFLUOROETHOXY)TOLUENE

  • EINECS 255-682-4
  • CAS No. 42145-66-4
  • Article Data1
  • CAS DataBase
  • Density 1.235g/cm3
  • Solubility
  • Melting Point
  • Formula C9H8F4O
  • Boiling Point 175.9 °C at 760 mmHg
  • Molecular Weight 208.156
  • Flash Point 59.4 °C
  • Transport Information UN 1993
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 42145-66-4 (2-(1,1,2,2-TETRAFLUOROETHOXY)TOLUENE)
  • Hazard Symbols IrritantXiToxicT
  • Synonyms 1-Methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;2-Methylphenyl 1,1,2,2-tetrafluoroethyl ether;
  • PSA 9.23000
  • LogP 3.23170

2-(1,1,2,2-Tetrafluoroethoxy)toluene Specification

The 2-(1,1,2,2-Tetrafluoroethoxy)toluene, with cas registry number 42145-66-4, belongs to the following product categories: (1)Ethers; (2)Organic Building Blocks; (3)Oxygen Compounds. Its systematic name and its IUPAC name are the same, which is 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 502.11; (6)ACD/BCF (pH 7.4): 502.11; (7)ACD/KOC (pH 5.5): 2984.24; (8)ACD/KOC (pH 7.4): 2984.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 42.96 cm3; (15)Molar Volume: 168.4 cm3; (16)Polarizability: 17.03×10-24cm3; (17)Surface Tension: 23.7 dyne/cm; (18)Enthalpy of Vaporization: 39.53 kJ/mol; (19)Vapour Pressure: 1.51 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-(1,1,2,2-Tetrafluoroethoxy)toluene irritates to eyes, respiratory system and skin. 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.
Besides this, it is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure: 
(1)SMILES: FC(F)(Oc1ccccc1C)C(F)F
(2)InChI: InChI=1/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
(3)InChIKey: OHXFFMAUQJFAAF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
(5)Std. InChIKey: OHXFFMAUQJFAAF-UHFFFAOYSA-N

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