Product Name

  • Name

    4-Iodophenetole

  • EINECS -0
  • CAS No. 699-08-1
  • Article Data33
  • CAS DataBase
  • Density 1.631 g/cm3
  • Solubility
  • Melting Point 25-28 °C(lit.)
  • Formula C8H9IO
  • Boiling Point 251 °C at 760 mmHg
  • Molecular Weight 248.063
  • Flash Point 105.6 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 699-08-1 (4-Iodophenetole)
  • Hazard Symbols IrritantXi
  • Synonyms Phenetole,p-iodo- (6CI,7CI,8CI);1-Ethoxy-4-iodobenzene;4-(Ethyloxy)iodobenzene;4-Ethoxyphenyl iodide;4-Iodoethoxybenzene;4-Iodophenetole;NSC 3781;p-Ethoxyiodobenzene;p-Iodophenetole;1-Ethoxy-4-iodbenzol;1-Ethoxy-4-iodobenzene;1-Iodo-4-Ethyloxybenzene;4-Iodophenetole;Benzene, 1-ethoxy-4-iodo-;Ethyl 4-iodophenyl ether;p-Ethoxyiodobenzene;Phenetole, p-iodo-;p-iodophenetole;
  • PSA 9.23000
  • LogP 2.68990

4-Iodophenetole Specification

The 4-Iodophenetole, with the CAS registry number 699-08-1 and EINECS registry number 234-487-8, has the systematic name of 1-ethoxy-4-iodobenzene. And the molecular formula of this chemical is C8H9IO. It is a kind of light sensitive chemical, and belongs to the following product categories: Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds. In addition, it is used as intermediates of liquid crystals.

The physical properties of 4-Iodophenetole are as following: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 50.47 cm3; (9)Molar Volume: 152 cm3; (10)Polarizability: 20×10-24cm3; (11)Surface Tension: 38.7 dyne/cm; (12)Density: 1.631 g/cm3; (13)Flash Point: 105.6 °C; (14)Enthalpy of Vaporization: 46.85 kJ/mol; (15)Boiling Point: 251 °C at 760 mmHg; (16)Vapour Pressure: 0.0333 mmHg at 25°C.

Uses of 4-Iodophenetole: It can react with 2-phenethyl-3,4-dihydro-2H-pyran to produce 6-(4-ethoxy-phenyl)-2-phenethyl-3,6-dihydro-2H-pyran. This reaction will need reagents Ag2CO3 and PPh3, catalyst Pd(OAc)2, and the solvent acetonitrile. The reaction temperature is  80°C, and the yield is about 32%.

4-Iodophenetole can react with 2-phenethyl-3,4-dihydro-2H-pyran to produce 6-(4-ethoxy-phenyl)-2-phenethyl-3,6-dihydro-2H-pyran

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and 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: Ic1ccc(OCC)cc1
(2)InChI: InChI=1/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
(3)InChIKey: VSIIHWOJPSSIDI-UHFFFAOYAA

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