2-CHLOROPHENETOLE

The Benzene, 1-chloro-2-ethoxy-, with the CAS registry number of 614-72-2, is also known as 2-Chlorophenetole and o-Chloroethoxybenzene. It belongs to the product category of Phenetole. Its EINECS registry number is 210-392-7. This chemical's molecular formula is C₈H₉ClO and molecular weight is 156.61. What's more, its IUPAC name is 1-Chloro-2-ethoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzene, 1-chloro-2-ethoxy- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 162.05; (6)ACD/BCF (pH 7.4): 162.05; (7)ACD/KOC (pH 5.5): 1328.25; (8)ACD/KOC (pH 7.4): 1328.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 42.45 cm³; (15)Molar Volume: 141.8 cm³; (16)Polarizability: 16.83×10^-24 cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.103 g/cm³; (19)Flash Point: 82.3 °C; (20)Enthalpy of Vaporization: 42.81 kJ/mol; (21)Boiling Point: 210 °C at 760 mmHg; (22)Vapour Pressure: 0.285 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 2-Chloro-phenol with Sulfuric acid diethyl ester at ambient temperature. The reaction needs reagent LiOH•H₂O and solvent Tetrahydrofuran. The reaction time is 1 hour. The yield is about 85 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: CCOc1ccccc1Cl
(2) InChI: InChI=1/C8H9ClO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
(3) InChIKey: IRYSAAMKXPLGAM-UHFFFAOYAP