2,4,5-Trifluoro-3-methoxybenzoic acid
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2,4,5-Trifluoro-3-methoxybenzoic acid
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CAS No:
112811-65-1
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Formula:
C8H5F3O3
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Chemical Name:
2,4,5-Trifluoro-3-methoxybenzoic acid
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Synonyms:
Benzoic acid,2,4,5-trifluoro-3-methoxy-;2,4,5-Trifluoro-3-methoxybenzoic acid;3-Methoxy-2,4,5-trifluorobenzoic acid
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CAS No:
Characteristics
46.5
1.7
white to light yellow crystal powder
1.472 g/mL at 25 °C(lit.)
105-112 °C(lit.)
284.3±35.0 °C(Predicted)
126 °F
n 20/D 1.503(lit.)
0.296mmHg at 25°C
Safety Information
UN 1760 8/PG 2
3
34-36/37/38
26-36/37/39-45-36
C,Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4,5-Trifluoro-3-methoxybenzoic acid Use and Manufacturing
(2) Transferring the obtained 2, 4, 5-trifluoro-3-hydroxybenzoic acid into a methylation device. Add base to adjust pH to 9.07. Control temperature is less than 35 deg.C. Add dimethyl sulfate. Simultaneously, control the pH to 8.55 by adding lye. After the addition of dimethyl sulfate, increase the temperature to 80 C. Adjust the pH greater than 12. Maintain temperature and react for 2h. After the reaction is completed, the temperature is lowered below 30 C and transferred to an acidification device. Then, add sulfuric acid or hydrochloric acid until the pH of the system is less than 0.5. After acidification, centrifugation. Drying the solid to obtain
Used as pharmaceutical intermediates, mainly for the synthesis of quinolones broad-spectrum antibiotics
Computed Properties
Molecular Weight:206.12
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:206.01907850
Monoisotopic Mass:206.01907850
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,4,5-Trifluoro-3-methoxybenzoic acid
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