2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE
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2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE
structure -
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CAS No:
76041-72-0
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Formula:
C6H4F3NS
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Chemical Name:
2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE
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Synonyms:
BUTTPARK 45\03-87;5-TRIFLUOROMETHYL-2-MERCAPTOPYRIDINE;5-(TRIFLUOROMETHYL)PYRIDIN-2-THIOL;5-(TRIFLUOROMETHYL)PYRIDINE-2-THIOL;2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE;2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE 95+%;5-(trifluoromethyl)-2-pyridinethiol;5-(Trifluoromethyl)pyridine-2-thiol 95%
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CAS No:
2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE Basic Attributes
179.16
179.001648
1533716-785-6
DTXSID60226946
2933399090
Characteristics
44.1
1.2
1.4±0.1 g/cm3
154-159 °C(lit.)
252.7ºC at 760 mmHg
77.3±27.3 °C
1.494
2-8°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.62%): 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 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE Use and Manufacturing
Intermediates 4: a) 5-Trifluoromethyl-pyridine-2-sulfonyl chloride (4a); 0.8 g (4.47 mmol) of 5-trifluoromethyl-pyridine-2-thiol is placed at -8C in 16 m L of H2S04. 16.96 mL (35.7 mmol) of a 13% sodium hypochlorite solution is poured gently such that the temperature of the reaction medium does not exceed 5C. This mixture is then stirred for 45 min, taken up by water and then extracted using AcOEt. After drying followed by reduction to dryness of the organic phases, an oil is isolated (yield: 79%) and used as such for the next reactions.PREPARATION 129 2-Chlorosulfonyl-5-trifluoromethylpyridine Substituting a) 5-Trifluoromethyl-pyridine-2-sulfonyl chloride (4a) 0.8 g (4.47 mmol) of 5-trifluoromethyl-pyridine-2-thiol is placed at -8 C. in 16 mL of H2SO4. 16.96 mL (35.7 mmol) of a 13% sodium hypochlorite solution is poured gently such that the temperature of the reaction medium does not exceed 5 C. This mixture is then stirred for 45 min, taken up by water and then extracted using AcOEt. After drying followed by reduction to dryness of the organic phases, an oil is isolated (yield: 79%) and used as such for the next reactions.
Reactant used to synthesize anti-tumor agents and HIV protease inhibitors.
Computed Properties
Molecular Weight:179.17
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:179.00165479
Monoisotopic Mass:179.00165479
Topological Polar Surface Area:44.1
Heavy Atom Count:11
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE
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