5-Chloro-2-methoxybenzoic acid
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5-Chloro-2-methoxybenzoic acid
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CAS No:
3438-16-2
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Formula:
C8H7ClO3
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Chemical Name:
5-Chloro-2-methoxybenzoic acid
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Synonyms:
Benzoic acid,5-chloro-2-methoxy-;o-Anisic acid,5-chloro-;5-Chloro-2-methoxybenzoic acid;2-Methoxy-5-chlorobenzoic acid;5-Chloro-o-anisic acid
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CAS No:
Characteristics
46.5
2.2
White to off-white crystalline powder
1.4±0.1 g/cm3
82 °C
309.4°C at 760 mmHg
140.9±22.3 °C
1.562
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Chloro-2-methoxybenzoic acid Use and Manufacturing
To a solution of Methyl 5-chloro-2- methoxybenzoate (2.0g, 0.01 mol) [Alfa Aesar] in ethanol (60 mL) was added in one portion 1M aqueous sodium hydroxide (60 mL, 0, 06 mol) and the mixture was stirred at ambient temperature for 4 hr. Thin layer chromatography indicated that the reaction was complete. Concentrated the mixture in vacuo to remove the ethanol and extracted the aqueous residue with ethyl acetate. Chilled the aqueous phase in an ice bath and adjusted the pH to 2 with concentrated aqueous hydrogen chloride. After stirring in an ice bath for 1 hr., the resulting solid was filtered, washed with water and air dried to give 1.4g (74.9percent) of 3-chloro- 2-methoxy benzoic acid as a white solid MS: m/z 185.1 (MHGeneral procedure: K
Computed Properties
Molecular Weight:186.59
XLogP3:2.2
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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