Product Name

  • Name

    4-CHLORO-2-FLUOROANISOLE

  • EINECS
  • CAS No. 452-09-5
  • Article Data5
  • CAS DataBase
  • Density 1.239 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H6ClFO
  • Boiling Point 189.1 °C at 760 mmHg
  • Molecular Weight 160.575
  • Flash Point 68.2 °C
  • Transport Information 1993
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 452-09-5 (4-CHLORO-2-FLUOROANISOLE)
  • Hazard Symbols IrritantXi
  • Synonyms Anisole,4-chloro-2-fluoro- (6CI,8CI);4-Chloro-2-fluoro-1-methoxybenzene;4-Chloro-2-fluoroanisole;NSC 10330;
  • PSA 9.23000
  • LogP 2.48770

Benzene, 4-chloro-2-fluoro-1-methoxy- Specification

This chemical is called Benzene, 4-chloro-2-fluoro-1-methoxy-, and its systematic name is 4-Chloro-2-fluoro-1-methoxybenzene. With the molecular formula of C7H6ClFO, its molecular weight is 160.57. The CAS registry number of this chemical is 452-09-5. Additionally, its product categories are Aromatic Ethers; Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Fluorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. 

Other characteristics of the Benzene, 4-chloro-2-fluoro-1-methoxy- can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.495; (8)Molar Refractivity: 37.82 cm3; (9)Molar Volume: 129.5 cm3; (10)Polarizability: 14.99×10-24cm3; (11)Surface Tension: 31.4 dyne/cm; (12)Density: 1.239 g/cm3; (13)Flash Point: 68.2 °C; (14)Enthalpy of Vaporization: 40.79 kJ/mol; (15)Boiling Point: 189.1 °C at 760 mmHg; (16)Vapour Pressure: 0.8 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. 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: Clc1cc(F)c(OC)cc1
2.InChI: InChI=1/C7H6ClFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
3.InChIKey: QIUCVZDNIUACJN-UHFFFAOYAJ

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