Product Name

  • Name

    4-CHLOROPHENETOLE

  • EINECS 210-747-6
  • CAS No. 622-61-7
  • Article Data40
  • CAS DataBase
  • Density 1.103g/cm3
  • Solubility
  • Melting Point 17°C
  • Formula C8H9ClO
  • Boiling Point 213 °C at 760 mmHg
  • Molecular Weight 156.612
  • Flash Point 83.7 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 622-61-7 (4-CHLOROPHENETOLE)
  • Hazard Symbols
  • Synonyms Phenetole,p-chloro- (6CI,7CI,8CI);1-Chloro-4-ethoxybenzene;4-Chloroethoxybenzene;4-Chlorophenetole;4-Chlorophenol ethyl ether;4-Ethoxychlorobenzene;NSC 6161;p-Chlorophenetole;p-Chlorophenyl ethyl ether;p-Ethoxychlorobenzene;
  • PSA 9.23000
  • LogP 2.73870

Benzene, 1-chloro-4-ethoxy- Specification

The Benzene, 1-chloro-4-ethoxy-, with CAS registry number 622-61-7, belongs to the following product category: Phenetole. It has the systematic name of Benzene, 1-chloro-4-ethoxy-. The main use of this chemical is for organic synthesis. And the chemical formula of this chemical is C8H9ClO. What's more, its EINECS is 210-747-6.

Physical properties of Benzene, 1-chloro-4-ethoxy-: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.51; (9)Molar Refractivity: 42.45 cm3; (10)Molar Volume: 141.8 cm3; (11)Polarizability: 16.83×10-24cm3; (12)Surface Tension: 32.8 dyne/cm; (13)Density: 1.103 g/cm3; (14)Flash Point: 83.7 °C; (15)Enthalpy of Vaporization: 43.1 kJ/mol; (16)Boiling Point: 213 °C at 760 mmHg; (17)Vapour Pressure: 0.245 mmHg at 25°C.

Preparation: this chemical can be prepared by ethoxybenzene. This reaction will need reagent SO2Cl2.

When you are using this chemical, please be cautious about it as the following:
The Benzene, 1-chloro-4-ethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Clc1ccc(OCC)cc1
(2)InChI: InChI=1/C8H9ClO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
(3)InChIKey: IXLSVQMYQRAMEW-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H9ClO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
(5)Std. InChIKey: IXLSVQMYQRAMEW-UHFFFAOYSA-N

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