2-Chloro-6-trifluoromethylnicotinic acid
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2-Chloro-6-trifluoromethylnicotinic acid
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CAS No:
280566-45-2
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Formula:
C7H3ClF3NO2
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Chemical Name:
2-Chloro-6-trifluoromethylnicotinic acid
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Synonyms:
2-CHLORO-6-TRIFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID;2-CHLORO-6-(TRIFLUOROMETHYL)NICOTINIC ACID;RARECHEM AL BO 2184;2-CHLORO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID;2-CHLORO-6-TRIFLUOROMETHYL NICOTINIC ACID,97+%(GC);2-Chloro-6-(trifluoromethyl)nicotinic acid ,97%;3-Pyridinecarboxylic acid, 2-chloro-6-(trifluoroMethyl)-;2-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-2-chloro-6-(trifluoromethyl)pyridine
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CAS No:
2-Chloro-6-trifluoromethylnicotinic acid Basic Attributes
225.55
224.980438
1312995-182-4
DTXSID40380813
2933399090
Characteristics
50.2
2.3
White crystalline powder
1.6±0.1 g/cm3
120 °C
271.3ºC at 760 mmHg
117.9±27.3 °C
1.497
2.81E-06mmHg at 25°C
Safety Information
UN 2811 6.1 / PGIII
3
36/37/38-22
26-36/37/39
Xi,Xn
Irritant
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (81.25%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-6-trifluoromethylnicotinic acid Use and Manufacturing
To a stirred solution of 2-chloro-6-(trifluoromethyl)pyridine (50.0 g, 1.0 eq.) in tetrahydrofuran (1.0 1) was added drop wise lithium diisopropylamide (LDA) (44.2 g, 1.5 eq.) at -78 °C. After 2 h dry carbondioxide (500 g) was added at -78 °C. The resulting reaction mixture was allowed to room temperature and stirred for 10 min. The reaction progress was monitored by TLC. After completion of reaction, the reaction mixture was acidified with 1N HCl up to pH 2 and extracted with ethyl acetate (2 x 500 mL). The combined organic layer was washed with water (500 mL), brine (500 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to get crude product which was triturated with pet ether to get pure 2-chloro-6-(trifiuoromethyl)nicotinic acid (Int-15) (40.0 g, 64.6 percent).
Computed Properties
Molecular Weight:225.55
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:224.9804405
Monoisotopic Mass:224.9804405
Topological Polar Surface Area:50.2
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-6-trifluoromethylnicotinic acid
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