3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid
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3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid
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CAS No:
129768-28-1
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Formula:
C5H3F3N2O2
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Chemical Name:
3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,5-(trifluoromethyl)-;5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid;3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid;5-Trifluoromethylpyrazole-3-carboxylic acid;IN-E 8S72;512810-14-9;877402-81-8;948551-11-9;1014625-15-0;1071875-13-2;2143930-66-7
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CAS No:
3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid Basic Attributes
180.08
180.08
DTXSID10400653
2933199090
Characteristics
65.98000
1.12670
1.682±0.06 g/cm3
354.2±42.0 °C(Predicted)
168ºC
1.485
1.26E-05mmHg at 25°C
3.55±0.10
Safety Information
IRRITANT
22-20/21/22
36/37
Xi,Xn
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:180.08
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:180.01466183
Monoisotopic Mass:180.01466183
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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