Product Name

  • Name

    4-Fluoro-2-methylbenzotrifluoride

  • EINECS
  • CAS No. 80245-26-7
  • Article Data2
  • CAS DataBase
  • Density 1.241 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6F4
  • Boiling Point 131.2 °C at 760 mmHg
  • Molecular Weight 178.129
  • Flash Point 20.2 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 80245-26-7 (4-Fluoro-2-methylbenzotrifluoride)
  • Hazard Symbols IrritantXi
  • Synonyms 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene;4-Trifluoromethyl-3-methylfluorobenzene;
  • PSA 0.00000
  • LogP 3.15290

4-Fluoro-2-methylbenzotrifluoride Specification

The CAS register number of 4-Fluoro-2-methylbenzotrifluoride is 80245-26-7. It also can be called as 2-Methyl-4-fluorobenzotrifluoride and the systematic name about this chemical is 4-fluoro-2-methyl-1-(trifluoromethyl)benzene. The molecular formula about this chemical is C8H6F4 and the molecular weight is 178.13.

Physical properties about 4-Fluoro-2-methylbenzotrifluoride are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.42; (3)ACD/LogD (pH 7.4): 3.42; (4)ACD/BCF (pH 5.5): 232.01; (5)ACD/BCF (pH 7.4): 232.01; (6)ACD/KOC (pH 5.5): 1717.28; (7)ACD/KOC (pH 7.4): 1717.28; (8)Index of Refraction: 1.416; (9)Molar Refractivity: 36.05 cm3; (10)Molar Volume: 143.4 cm3; (11)Polarizability: 14.29x10-24cm3; (12)Surface Tension: 21.6 dyne/cm; (13)Enthalpy of Vaporization: 35.35 kJ/mol; (14)Boiling Point: 131.2 °C at 760 mmHg; (15)Vapour Pressure: 11.5 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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)c1c(cc(F)cc1)C
(2)InChI: InChI=1/C8H6F4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3
(3)InChIKey: XBUKSKTZQURUDT-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H6F4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3
(5)Std. InChIKey: XBUKSKTZQURUDT-UHFFFAOYSA-N

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