Product Name

  • Name

    4-CHLORO-3-(TRIFLUOROMETHYL)ANISOLE

  • EINECS -0
  • CAS No. 400-73-7
  • Article Data2
  • CAS DataBase
  • Density 1.325 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6ClF3O
  • Boiling Point 206.7 °C at 760 mmHg
  • Molecular Weight 210.583
  • Flash Point 78.8 °C
  • Transport Information
  • Appearance
  • Safety 16
  • Risk Codes 10
  • Molecular Structure Molecular Structure of 400-73-7 (4-CHLORO-3-(TRIFLUOROMETHYL)ANISOLE)
  • Hazard Symbols IrritantXi,FlammableF
  • Synonyms 2-CHLORO-5-METHOXYBENZOTRIFLUORIDE;1-CHLORO-4-METHOXY-2-TRIFLUOROMETHYL-BENZENE;4-CHLORO-3-(TRIFLUOROMETHYL)ANISOLE
  • PSA 9.23000
  • LogP 3.36740

Benzene,1-chloro-4-methoxy-2-(trifluoromethyl)- Specification

The Benzene,1-chloro-4-methoxy-2-(trifluoromethyl)- is an organic compound with the formula C8H6ClF3O. The IUPAC name of this chemical is 1-chloro-4-methoxy-2-(trifluoromethyl)benzene. With the CAS registry number 400-73-7, it is also named as 4-Chloro-3-(trifluoromethyl)anisole.

Physical properties about Benzene,1-chloro-4-methoxy-2-(trifluoromethyl)- are: (1)ACD/LogP: 4.02; (2)ACD/LogD (pH 5.5): 4.02; (3)ACD/LogD (pH 7.4): 4.02; (4)ACD/BCF (pH 5.5): 670.28; (5)ACD/BCF (pH 7.4): 670.28; (6)ACD/KOC (pH 5.5): 3669.74; (7)ACD/KOC (pH 7.4): 3669.74; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 42.8 cm3; (13)Molar Volume: 158.8 cm3; (14)Polarizability: 16.96×10-24cm3; (15)Surface Tension: 25.4 dyne/cm; (16)Density: 1.325 g/cm3; (17)Flash Point: 78.8 °C; (18)Enthalpy of Vaporization: 42.49 kJ/mol; (19)Boiling Point: 206.7 °C at 760 mmHg; (20)Vapour Pressure: 0.335 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable. 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)c1cc(OC)ccc1Cl
(2)InChI: InChI=1/C8H6ClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
(3)InChIKey: HUFKNQCAJLSTLH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6ClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
(5)Std. InChIKey: HUFKNQCAJLSTLH-UHFFFAOYSA-N

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