6-(2,2,2-TRIFLUOROETHOXY)NICOTINIC ACID
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6-(2,2,2-TRIFLUOROETHOXY)NICOTINIC ACID
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CAS No:
175204-90-7
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Formula:
C8H6F3NO3
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Chemical Name:
6-(2,2,2-TRIFLUOROETHOXY)NICOTINIC ACID
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Synonyms:
BUTTPARK 43\57-48;6-(2,2,2-TRIFLUOROETHOXY)NICOTINIC ACID;6-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-CARBOXYLIC ACID;6-(TRIFLUOROETHOXY)PYRIDINE-3-CARBOXYLIC ACID;RARECHEM AL BO 1661;trifluoroethoxypyridinecarboxylicacid;6-(2,2,2-Trifluoroethoxy)nicotinic acid, 95+%;6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic
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CAS No:
6-(2,2,2-TRIFLUOROETHOXY)NICOTINIC ACID Basic Attributes
221.13
221.029984
1312995-182-4
DTXSID00381725
2933399090
Characteristics
59.4
1.8
1.453±0.06 g/cm3(Predicted)
174 °C
274.7±40.0 °C(Predicted)
120.0±27.3 °C
1.478
>33.2 [ug/mL]
0.00257mmHg at 25°C
Safety Information
22-36/37/38-43
22-26-36/37/39-36/37
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:221.13
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:221.02997754
Monoisotopic Mass:221.02997754
Topological Polar Surface Area:59.4
Heavy Atom Count:15
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-(2,2,2-TRIFLUOROETHOXY)NICOTINIC ACID
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