4-CHLORO-3-METHOXYBENZOIC ACID
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4-CHLORO-3-METHOXYBENZOIC ACID
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CAS No:
85740-98-3
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Formula:
C8H7ClO3
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Chemical Name:
4-CHLORO-3-METHOXYBENZOIC ACID
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Synonyms:
TIMTEC-BB SBB008504;4-CHLORO-3-METHOXYBENZOIC ACID;4-CHLORO-3-METHOXYBENZOIC ACID ---POWDER---;4-Chloro-3-Methoxybenzoic;4-Chloro-3-methoxybenzoic acid, >=98%;Benzoic acid,4-chloro-3-methoxy-
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CAS No:
Safety Information
9
3077
3
36/37/38-50-25
26-36/37/39-61-45
T,N
P264, P270, P273, P301+P310, P321, P330, P391, P405, P501
H301
|Danger|H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-CHLORO-3-METHOXYBENZOIC ACID Use and Manufacturing
A stirred mixture of compound 2 (11.17 g, 71 mmol), potassium permanganate (35.0 g, 221 mmol), pyridine (36 mL), and water (107 mL) was heated at 50 °C for 24 h. The mixture was then stirred at room temperature for 13 h. The mixture was filtered and MnO(b) B. Synthesis of 4-chloro-3-methoxybenzoic acid (0200) To the crude toluene (7.8 g, 50 mmol) was added a solution KMnO1mol 3-hydroxybenzoic acid was dissolved in 2.4 L of CS2, added to the autoclave, and 5 ml of molecular sieve particles loaded with 2.5 mol of hypochlorous acid and 0.07 g of gold nanoparticles were charged to the reaction vessel at a temperature of 60 ° C, After stirring at 95 revolutions per minute for 3 h, the pH was adjusted to 10 with NaOH, 1.3 mol-methyl chloride was added, and the mixture was stirred at room temperature for 4 h. In addition to precipitation of crystals, filtered and dried, that is, 3-methoxy-4-chlorobenzoic acid crude, after recrystallization from ethanol to produce 3-methoxy-4-chlorobenzoic acid. The purity of the product was 84.6percent and the yield was 91.3percent.B. Synthesis of 4-chloro-3-methoxybenzoic Acid To the crude toluene (7.8 g, 50 mmol) was added a solution KMnO4 (19.8 g, 125 mmol) in water (300 mL). The reaction mixture was stirred vigorously at reflux for 17 hr and filtered warm through Celite, washing the cake with 200 mL hot water. The clear filtrate was washed with ethyl ether (2*150 mL), acidified with conc. HCl (9 mL) and filtered to give pure white solid B. Synthesis of
Computed Properties
Molecular Weight:186.59
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:186.0083718
Monoisotopic Mass:186.0083718
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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