2,4-Dimethoxybenzoyl chloride

The CAS registry number of 2,4-Dimethoxybenzoyl chloride is 39828-35-8. It belongs to the product categories of Acidhalide; Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C₉H₉ClO₃ and molecular weight is 200.62. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Dimethoxybenzoyl chloride. It is beige to light brown powder.

Physical properties about 2,4-Dimethoxybenzoyl chloride are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.04; (6)ACD/BCF (pH 7.4): 19.04; (7)ACD/KOC (pH 5.5): 286.85; (8)ACD/KOC (pH 7.4): 286.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 49.85 cm³; (15)Molar Volume: 163.8 cm³; (16)Surface Tension: 37.1 dyne/cm; (17)Density: 1.224 g/cm³; (18)Flash Point: 134.1 °C; (19)Enthalpy of Vaporization: 54.73 kJ/mol; (20)Boiling Point: 306.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000757 mmHg at 25 °C.

Preparation of 2,4-Dimethoxybenzoyl chloride: this chemical can be prepared by 2,4-Dimethoxy-benzoic acid. This reaction needs reagent SOCl₂ and solvent benzene at temperature of 80 °C. The reaction time is 3 hours.

Uses of 2,4-Dimethoxybenzoyl chloride: it is used to produce other chemicals. For example, it is used to produce trans-4-t-Butyl-1-vinylcyclohexyl 2,4-dimethoxybenzoate. The reaction occurs with reagent KH and solvent tetrahydrofuran. The yield is 61 %.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You should take off immediately all contaminated clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1ccc(OC)cc1OC
(2) InChI: InChI=1/C9H9ClO3/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
(3) InChIKey: KVIUXRJCBBXEGJ-UHFFFAOYAZ