2-Chloro-6-methylnicotinic acid
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2-Chloro-6-methylnicotinic acid
structure -
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CAS No:
30529-70-5
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Formula:
C7H6ClNO2
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Chemical Name:
2-Chloro-6-methylnicotinic acid
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Synonyms:
3-Pyridinecarboxylic acid,2-chloro-6-methyl-;Nicotinic acid,2-chloro-6-methyl-;2-Chloro-6-methyl-3-pyridinecarboxylic acid;2-Chloro-6-methylnicotinic acid
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CAS No:
2-Chloro-6-methylnicotinic acid Basic Attributes
171.58
171.58
473070
250-229-7
DTXSID90184585
2933399090
Characteristics
50.2
1.7
White to yellow to beige Crystalline Powder
1.4±0.1 g/cm3
160-162 °C
163 °C / 22mmHg
150.7±26.5 °C
1.579
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37/39
Xi
Irritant
Stable under normal temperatures and pressures.
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-methylnicotinic acid Use and Manufacturing
To a solution of 2-chloro-3-cyano-6-methylpyridine (3.05 g) was added 75percent sulfuric acid (10 mL)The mixture was stirred at 110 ° C for 2 hours. The reaction solution was cooled to room temperature, A small amount of successive injection into the ice water. The ice-water was stirred for 10 minutes, and the precipitated crystals were collected by filtration and dried.2.91 g (85percent) of 2-chloro-6-methylnicotinic acid was obtained. To a solution of the resulting 2-chloro-6-methylnicotinic acid (2.91 g)Was added 28percent aqueous ammonia solution (35 mL) and reacted in an autoclave at 170 ° C for 40 hours.The reaction solution was cooled to room temperature, and ammonia was removed under reduced pressure. The precipitated crystals were collected by filtration, Further washed with water and air-dried. Amino-6-methylnicotinic acid 1.91 g (yield 74percent) was obtained.The overall yield is62.9percent.
Computed Properties
Molecular Weight:171.58
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.0087061
Monoisotopic Mass:171.0087061
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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