2-(4-CHLOROPHENOXY)-2-METHYLPROPANOYL CHLORIDE

The Propanoyl chloride,2-(4-chlorophenoxy)-2-methyl-, with the CAS registry number 5542-60-9, has the systematic name of 2-(4-chlorophenoxy)-2-methyl-propanoyl chloride. It is also called (p-chlorophenoxy)isobutyroyl chloride. And the molecular formula of the chemical is C₁₀H₁₀Cl₂O₂.

The characteristics of Propanoyl chloride,2-(4-chlorophenoxy)-2-methyl- are as followings: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.118; (4)ACD/LogD (pH 7.4): 3.118; (5)ACD/BCF (pH 5.5): 137.871; (6)ACD/BCF (pH 7.4): 137.871; (7)ACD/KOC (pH 5.5): 1183.162; (8)ACD/KOC (pH 7.4): 1183.162; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 56.57 cm³; (15)Molar Volume: 183.459 cm³; (16)Polarizability: 22.426×10^-24cm³; (17)Surface Tension: 38.763 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 112.489 °C; (20)Enthalpy of Vaporization: 52.303 kJ/mol; (21)Boiling Point: 284.074 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Uses of Propanoyl chloride,2-(4-chlorophenoxy)-2-methyl-: It can react with 2-methyl-propan-2-ol; potassium salt to produce t-butyl 2-(4-chlorophenoxy)-2-methylpropanoate. This reaction will need reagent tetrahydrofuran, and the yield is about 61%.     

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. And if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C(=O)Cl)Oc1ccc(cc1)Cl
(2)InChI: InChI=1/C10H10Cl2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3
(3)InChIKey: OODRWLGKUBMFLZ-UHFFFAOYAI