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2,4-Dimethoxybenzoyl chloride

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Name

2,4-Dimethoxybenzoyl chloride

EINECS N/A
CAS No. 39828-35-8 Density 1.224 g/cm3
PSA 35.53000 LogP 2.08280
Solubility N/A Melting Point 58-60 ºC
Formula C9H9ClO3 Boiling Point 306.7 ºC at 760 mmHg
Molecular Weight 200.622 Flash Point 134.1 ºC
Transport Information UN 3261 8 Appearance beige to light brown powder / beige to light brown powder
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 39828-35-8 (2,4-Dimethoxybenzoyl chloride) Hazard Symbols CorrosiveC
Synonyms

2,4-Dimethoxybenzoylchloride;

Article Data 64

2,4-Dimethoxybenzoyl chloride Specification

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.

2,4-Dimethoxybenzoyl chloride can be prepared by 2,4-Dimethoxy-benzoic acid.

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 %.

2,4-Dimethoxybenzoyl chloride is used to produce trans-4-t-Butyl-1-vinylcyclohexyl 2,4-dimethoxybenzoate.

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

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