3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
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3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
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CAS No:
112758-40-4
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Formula:
C5H6N2O
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Chemical Name:
3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
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Synonyms:
3-Methylpyrazole-4-carboxaldehyde;4-Formyl-3-methyl-1H-pyrazole;3-Methyl-1H-pyrazol-4-carbaldehyde;1-Methyl Pyrazole-4-Aldehyde;3-Methylpyrazole-4-carbaldehyde;3-Methyl-1H-pyrazole-4-carboxaldehyde95%;1H-Pyrazole-4-carboxaldehyde, 3-methy;1H-Pyrazole-4-carboxaldehyde,3-Methyl-
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CAS No:
Characteristics
45.75000
0.53060
1.238±0.06 g/cm3
107-108.5°C
295.9±20.0 °C(Predicted)
137.2ºC
1.598
0.00148mmHg at 25°C
12.21±0.50
Safety Information
IRRITANT
3
22-36/37/38
26-37
Xi,Xn
|Warning|H302 (88.64%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:110.11
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:110.048012819
Monoisotopic Mass:110.048012819
Topological Polar Surface Area:45.8
Heavy Atom Count:8
Complexity:94.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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