Imidazole-2-carboxaldehyde
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Imidazole-2-carboxaldehyde
structure -
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CAS No:
10111-08-7
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Formula:
C4H4N2O
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Chemical Name:
Imidazole-2-carboxaldehyde
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Synonyms:
1H-Imidazole-2-carboxaldehyde;Imidazole-2-carboxaldehyde;2-Formylimidazole;2-Imidazolecarbaldehyde;2-Imidazolylformaldehyde;1H-Imidazole-2-carbaldehyde;Imidazole-2-formaldehyde
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CAS No:
Characteristics
45.8
-0.1
white powder
1.3±0.1 g/cm3
204 °C
296.5ºC at 760 mmHg
137.5±29.0 °C
1.620
soluble in water.
2-8°C
0.00143mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-36/37/39-3
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Imidazole-2-carboxaldehyde Use and Manufacturing
Used in a study of the imidazole-directed allylation of aldimines.1 Used to study imidazole-directed aldimine allylation reaction.
Computed Properties
Molecular Weight:96.09
XLogP3:-0.1
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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