3-Chloro-5-(trifluoromethyl)pyridine
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3-Chloro-5-(trifluoromethyl)pyridine
structure -
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CAS No:
85148-26-1
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Formula:
C6H3ClF3N
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Chemical Name:
3-Chloro-5-(trifluoromethyl)pyridine
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Synonyms:
3-TRIFLUOROMETHYL-5-CHLOROPYRIDINE;3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE;3-Chloro-5-(trifluoromethyl)pyridine 97%;3-Chloro-5-(trifluoromethyl)pyridine97%;Pyridine, 3-chloro-5-(trifluoroMethyl)-
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CAS No:
3-Chloro-5-(trifluoromethyl)pyridine Basic Attributes
181.54
180.990616
1312995-182-4
DTXSID30371538
2933399090
Safety Information
III
6.1
UN 2811 6.1 / PGIII
3
20/21/22-36/37/38-25
26-36/37/39-36-45
Xi,Xn,T
Irritant
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (90.91%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-5-(trifluoromethyl)pyridine Use and Manufacturing
Add zinc dust (1. 18 g) to a suspension of 2, 3-dichloro-5-trifluoromethyl-pyridine (2. 0 g, 9. 30 mmol) in 80 : 20 water and acetic acid (5 mL) and stir at 90 °C for 1 h. Add more zinc dust (1 g) and stir at 90 °C for an additional 15 min. Cool the reaction mixture to room temperature, filter, and wash with dichloromethane. Carefully concentrate and purify the residue by silica gel chromatography, eluting with 100 : 0 to 0 : 100 hexane : dichloromethane, to obtain the title compound as a volatile oil (0. 120g, 7percent). 1H NMR (300 MHz, CDCl3) 8 7. 93 (s, 1 H), 8. 78 (s, 2 H). GC-MS (EI) m/z = 181. 0, 183. 0 [M].
Computed Properties
Molecular Weight:181.54
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Exact Mass:180.9906113
Monoisotopic Mass:180.9906113
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-Chloro-5-(trifluoromethyl)pyridine
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