Product Name

  • Name

    2-CHLORO-5-FLUOROANISOLE

  • EINECS
  • CAS No. 450-89-5
  • Article Data2
  • CAS DataBase
  • Density 1.239 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H6ClFO
  • Boiling Point 171 °C at 760 mmHg
  • Molecular Weight 160.575
  • Flash Point 57.2 °C
  • Transport Information UN 1993
  • Appearance clear colourless liquid
  • Safety 16-26-36-37/39
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 450-89-5 (2-CHLORO-5-FLUOROANISOLE)
  • Hazard Symbols IrritantXi
  • Synonyms Anisole,6-chloro-3-fluoro- (8CI);1-Chloro-4-fluoro-2-methoxybenzene;
  • PSA 9.23000
  • LogP 2.48770

2-Chloro-5-fluoroanisole Specification

This chemical is called Benzene, 1-chloro-4-fluoro-2-methoxy-, and its systematic name is 1-chloro-4-fluoro-2-methoxybenzene. With the molecular formula of C7H6ClFO, its molecular weight is 160.57. The CAS registry number of this chemical is 450-89-5. Additionally, its product categories are Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Fluorine Compounds.

Other characteristics of the Benzene, 1-chloro-4-fluoro-2-methoxy- can be summarised as followings: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.01; (6)ACD/BCF (pH 7.4): 70.01; (7)ACD/KOC (pH 5.5): 728.38; (8)ACD/KOC (pH 7.4): 728.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 37.82 cm3; (15)Molar Volume: 129.5 cm3; (16)Polarizability: 14.99×10-24cm3; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 57.2 °C; (20)Enthalpy of Vaporization: 39.07 kJ/mol; (21)Boiling Point: 171 °C at 760 mmHg; (22)Vapour Pressure: 1.9 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. You should wear suitable protective clothing if you use it. It's flammable. Keep it away from sources of ignition. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(F)cc1OC
2.InChI: InChI=1/C7H6ClFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
3.InChIKey: ULVPJKKERHMKLS-UHFFFAOYAG

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