1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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CAS No:
98534-81-7
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Formula:
C11H7F3N2O2
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Chemical Name:
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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Synonyms:
1H-Pyrazole-4-carboxylic acid,1-phenyl-5-(trifluoromethyl)-;1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid;1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid;1-Phenyl-5-trifluoromethylpyrazole-4-carboxylic acid
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CAS No:
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid Basic Attributes
256.18
256.18
DTXSID80350959
2933199090
Characteristics
55.12000
2.58930
1.44±0.1 g/cm3
132-134 °C @ Solvent: Hexane, Chloroform
368.9±42.0 °C(Predicted)
47.2ºC
1.448
2.80±0.36
Safety Information
3
21/22-36/37/38
26-36/37
Xn,Xi
P261; P280; P305 + P351 + P338
H302; H312; H315; H319; H335
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:256.18
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:256.04596196
Monoisotopic Mass:256.04596196
Topological Polar Surface Area:55.1
Heavy Atom Count:18
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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