4-Chloro-1H-pyrazole-3-carboxylic acid
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4-Chloro-1H-pyrazole-3-carboxylic acid
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CAS No:
84547-87-5
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Formula:
C4H3ClN2O2
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Chemical Name:
4-Chloro-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4-chloro-;4-Chloro-1H-pyrazole-3-carboxylic acid;4-Chloro-3-pyrazolecarboxylic acid
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CAS No:
Characteristics
65.98000
0.76130
1.714±0.06 g/cm3
255-260°C
389.8±22.0 °C(Predicted)
189.5ºC
1.635
2.70±0.25
Safety Information
3
36/37/38
26-36
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:146.53
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:145.9883050
Monoisotopic Mass:145.9883050
Topological Polar Surface Area:66
Heavy Atom Count:9
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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