1H-Pyrazole-4-carboxaldehyde
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1H-Pyrazole-4-carboxaldehyde
structure -
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CAS No:
35344-95-7
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Formula:
C4H4N2O
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Chemical Name:
1H-Pyrazole-4-carboxaldehyde
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Synonyms:
4-Pyrazolecarboxaldehyde;1H-PYRAZOLE-4-CARBALDEHYDE;1H-PYRAZOLE-4-CARBOXALDEHYDE;AKOS BB-9811;1H-Pyrazole-4-carboxaldeh...;4-pyrazolylcarboxaldehyde;Pyrazole-4-Aldehyde;pyrazole-4-carboxaldehyde
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CAS No:
1H-Pyrazole-4-carboxaldehyde Basic Attributes
96.09
96.032362755
636-879-8
DTXSID50408613
2933199090
Characteristics
45.75000
0.22220
1.322±0.06 g/cm3
82-83 °C(Solv: cyclohexane (110-82-7))
300.0±13.0 °C(Predicted)
139.7ºC
1.62
11.65±0.50
Safety Information
IRRITANT
Xi
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:96.09
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:96.032362755
Monoisotopic Mass:96.032362755
Topological Polar Surface Area:45.8
Heavy Atom Count:7
Complexity:74.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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