1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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CAS No:
98534-84-0
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Formula:
C12H9F3N2O2
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Chemical Name:
1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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Synonyms:
1H-Pyrazole-4-carboxylic acid,1-(4-methylphenyl)-5-(trifluoromethyl)-;1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid;1-(4-Methylphenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
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CAS No:
1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid Basic Attributes
270.21
270.21
DTXSID40394117
Characteristics
55.12000
2.89770
1.40±0.1 g/cm3
151-155 °C(lit.)
377.8±42.0 °C(Predicted)
182.3ºC
1.552
2.80±0.36
Safety Information
3
22-36/37/38
26-36
Xn
P261; P305 + P351 + P338
H302; H315; H319; H335
|Warning|H302 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:270.21
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:270.06161202
Monoisotopic Mass:270.06161202
Topological Polar Surface Area:55.1
Heavy Atom Count:19
Complexity:340
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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