2-Chloro-6-methoxyisonicotinic acid
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2-Chloro-6-methoxyisonicotinic acid
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CAS No:
15855-06-8
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Formula:
C7H6ClNO3
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Chemical Name:
2-Chloro-6-methoxyisonicotinic acid
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Synonyms:
2-Chloro-6-methoxy-4-pyridinecarboxylic acid;2-Chloro-6-methoxypyridine-4-c;2-Chloro-6-methoxypyridine-4-carboxylic acid, 4-Carboxy-2-chloro-6-methoxypyridine;TIMTEC-BB SBB005427;2-CHLORO-6-METHOXYISONICOTINIC ACID;2-CHLORO-6-METHOXYPYRIDINE-4-CARBOXYLIC ACID;BUTTPARK 43\57-34
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CAS No:
Characteristics
59.4
1.6
1.430±0.06 g/cm3(Predicted)
214 °C
209-213℃
201.1±27.3 °C
1.567
2.03E-07mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37/39-37/39-36/37
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-Chloro-6-methoxyisonicotinic acid Use and Manufacturing
a) Freshly prepared sodium methoxide (from 1.5 g sodium in 15 mL dry methanol) was added dropwise to a solution of (5.0 g, 26 mmol) in dry methanol (25 mL). The reaction mixture was refluxed for 24 h, allowed to cool to RT and poured in aqueous HCl (10percent, 100 mL). A pinkish solid separated and was collected on a filter, washed with water and air-dried (4.0 g, 82percent). IH NMR (400 MHz, DMSO-d6) 5 3.89 (s, 3H) 7.17 (s, 1H) 7.39 (s, 1H) 13.96 (br s, OH).
Computed Properties
Molecular Weight:187.58
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:187.0036207
Monoisotopic Mass:187.0036207
Topological Polar Surface Area:59.4
Heavy Atom Count:12
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-6-methoxyisonicotinic acid
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