5-(Trifluoromethyl)nicotinic acid
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5-(Trifluoromethyl)nicotinic acid
structure -
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CAS No:
131747-40-5
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Formula:
C7H4F3NO2
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Chemical Name:
5-(Trifluoromethyl)nicotinic acid
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Synonyms:
5-(TRIFLUOROMETHYL)NICOTINIC ACID;5-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID;5-TRIFLUOROMETHYLINICOTINIC ACID;5-(Trifluoromethyl)-3-pyridinecarboxylic acid;5-(Trifluoromethy)pyridine-3-carboxylic acid;5-(trifluoroMethyl)pyridin-3-carboxylic acid;5-(Trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-5-(trifluoromethyl)pyridine;5-(TrifluoroMethyl)pyridine-3-carboxylic acid
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CAS No:
Characteristics
50.2
1.3
Off-white Solid
1.484±0.06 g/cm3(Predicted)
184-189℃
277.5±40.0 °C(Predicted)
121.6±27.3 °C
1.475
0.002mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36
26
Xi
P305 + P351 + P338
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:191.11
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:191.01941286
Monoisotopic Mass:191.01941286
Topological Polar Surface Area:50.2
Heavy Atom Count:13
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(Trifluoromethyl)nicotinic acid
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