5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
structure -
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CAS No:
128455-63-0
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Formula:
C6H4ClF3N2O2
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Chemical Name:
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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Synonyms:
1H-Pyrazole-4-carboxylic acid,5-chloro-1-methyl-3-(trifluoromethyl)-;5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid;1-Methyl-3-trifluoromethyl-5-chloropyrazole-4-carboxylic acid;5-Chloro-1-methyl-3-trifluoromethyl-4-pyrazolecarboxylic acid;3-(Trifluoromethyl)-5-chloro-1-methyl-1H-pyrazole-4-carboxylic acid
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CAS No:
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid Basic Attributes
228.56
228.56
1312995-182-4
DTXSID30378724
2933199090
Characteristics
55.1
2.27
1.71±0.1 g/cm3(Predicted)
198-201 °C @ Solvent: Ethanol, Water
284.4±40.0 °C(Predicted)
125.8±27.3 °C
1.526
0.0014mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
20/21/22-36/37/38
26
Xi,Xn
Irritant
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302+H312+H332 (97.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:228.55
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:227.9913396
Monoisotopic Mass:227.9913396
Topological Polar Surface Area:55.1
Heavy Atom Count:14
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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