3-Bromo-5-(trifluoromethyl)pyridine
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3-Bromo-5-(trifluoromethyl)pyridine
structure -
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CAS No:
436799-33-6
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Formula:
C6H3BrF3N
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Chemical Name:
3-Bromo-5-(trifluoromethyl)pyridine
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Synonyms:
Pyridine,3-bromo-5-(trifluoromethyl)-;3-Bromo-5-(trifluoromethyl)pyridine;5-Bromo-3-(trifluoromethyl)pyridine
- Categories:
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CAS No:
3-Bromo-5-(trifluoromethyl)pyridine Basic Attributes
225.99
225.99
1312995-182-4
DTXSID50456230
2933399090
Characteristics
12.9
2.4
White to yellow Crystalline Powder or Solid
1.7±0.1 g/cm3
44-46 °C
62 °C
149 °F
1.471
Safety Information
IRRITANT
UN 2811 6.1/PG 3
3
25-36/37/38
26-36/37/39-45
T,Xi
Irritant
P261-P264-P301 + P310-P305 + P351 + P338
H300-H315-H319-H335
|Danger|H300 (81.25%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, 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.
3-Bromo-5-(trifluoromethyl)pyridine Use and Manufacturing
26a) 5-(trifluoromethyl)nicotinic acid A solution of 1.5 g General procedure: To degassed tetrahydrofuran (5 mL) was added chloro-(2-dicyclohexylphosphino-2', 6'-diisopropoxy-1 , 1 '-biphenyl)[2-(2-aminoethyl)phenyl]palladium(ll)-methyl-f-butyl ether adduct (PdRuPhos G1 ) (0.017 g, 0.024 mmol), 2-dicyclohexylphosphino-2?, 6'-diisopropoxybiphenyl (RuPho) (0.011 g, 0.024 mmol), the title compound from Preparative (0.05 g, 0.024 mmol), and the commercially available 4-(6-bromobenzo[d]thiazol-2-yl)morpholine (0.073 g, 0.029 mmol). Then, a 1 M solution of lithium bis(trimethylsilyl)amide (LiHMDS) in tetrahydrofuran (1 mL, 1 mmol) was added. The resulting reaction mixture was heated at reflux for 2 hours. The reaction mixture was cooled to room temperature, dissolved in dichloromethane (100 mL). The organic phase was washed with water and brine and dried over Na2S04. The solvent was removed under reduced pressure. The crude product was purified on a silica gel column using a Biotage Isolera One purification system employing an ethyl acetate/n-heptane gradient (80/20 => 100/0) to afford the title compound (0.070 g, 69 %).
Computed Properties
Molecular Weight:225.99
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Exact Mass:224.94010
Monoisotopic Mass:224.94010
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-5-(trifluoromethyl)pyridine
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