Product Name

  • Name

    3-CHLORO-5-FLUOROANISOLE

  • EINECS
  • CAS No. 202925-08-4
  • Article Data2
  • CAS DataBase
  • Density 1.239 g/cm3
  • Solubility
  • Melting Point 18°C
  • Formula C7H6ClFO
  • Boiling Point 169.1 °C at 760 mmHg
  • Molecular Weight 160.575
  • Flash Point 56.1 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 202925-08-4 (3-CHLORO-5-FLUOROANISOLE)
  • Hazard Symbols IrritantXi
  • Synonyms 3-Chloro-5-fluoroanisole;
  • PSA 9.23000
  • LogP 2.48770

Benzene,1-chloro-3-fluoro-5-methoxy- Specification

The Benzene,1-chloro-3-fluoro-5-methoxy-, with the CAS registry number 202925-08-4, is also known as 3-Chloro-5-fluorophenyl methyl ether. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Fluorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C7H6ClFO and molecular weight is 160.57. What's more, both its IUPAC name and systematic name are the same which is called 1-Chloro-3-fluoro-5-methoxybenzene.

Physical properties about Benzene,1-chloro-3-fluoro-5-methoxy- are: (1) ACD/LogP: 2.62; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.62; (4) ACD/LogD (pH 7.4): 2.62; (5) ACD/BCF (pH 5.5): 57.82; (6) ACD/BCF (pH 7.4): 57.82; (7) ACD/KOC (pH 5.5): 635.18; (8) ACD/KOC (pH 7.4): 635.18; (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) Surface Tension: 31.4 dyne/cm; (17) Density: 1.239 g/cm3; (18) Flash Point: 56.1 °C; (19) Enthalpy of Vaporization: 38.89 kJ/mol; (20) Boiling Point: 169.1 °C at 760 mmHg; (21) Vapour Pressure: 2.08 mmHg at 25 °C; (22) Melting Point: 18 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(F)cc(OC)c1
(2) InChI: InChI=1/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
(3) InChIKey: XPZBNEWAZPZUHF-UHFFFAOYAT

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