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Cas Database |
| Name |
1H-Imidazole-4-carbaldehyde |
EINECS | 221-227-3 |
| CAS No. | 3034-50-2 | Density | 1.322 g/cm3 |
| PSA | 45.75000 | LogP | 0.22220 |
| Solubility | N/A | Melting Point |
174-177 °C(lit.) |
| Formula | C4H4N2O | Boiling Point | 367.8 °C at 760 mmHg |
| Molecular Weight | 96.0886 | Flash Point | 179.8 °C |
| Transport Information | N/A | Appearance | White to light yellow powder |
| Safety | 26-36-36/37/39 | Risk Codes | 36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
1H-Imidazole-4-carboxaldehyde(9CI);Imidazole-4(or 5)-carboxaldehyde (6CI,7CI);Imidazole-4-carboxaldehyde(8CI);1H-Imidazol-4-ylcarboxaldehyde;4-Formylimidazole;5-Imidazolecarboxaldehyde;NSC400521;Imidazole-4-Carboxaldehyde; |
Article Data | 35 |
1H-Imidazole-4-carbaldehyde Synthetic route
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide In methanol | 99% |
| With manganese(IV) oxide In methanol at 40℃; for 6h; | 92% |
| With potassium osmate(VI) dihydrate; potassium carbonate; potassium hexacyanoferrate(III) In water; acetonitrile at 60℃; for 18h; chemoselective reaction; | 51% |
- 33016-47-6
(1-tritylimidazol-4-yl)carboxaldehyde
- 3034-50-2
4(5)formylimidazole
| Conditions | Yield |
|---|---|
| With acetic acid In methanol for 7h; Heating; | 98% |
| With acetic acid In methanol for 13h; Heating; | 82% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-bromo-1 H-imidazole With isopropylmagnesium chloride In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: With n-butyllithium In tetrahydrofuran; hexane at -20℃; for 0.5h; Stage #3: N,N-dimethyl-formamide In tetrahydrofuran; hexane at -20℃; for 0.5h; | 85% |
- 1025907-10-1
1-(N,N-dimethylsulfamoyl)-2-(triethylsilyl)imidazole-4-carbaldehyde
- 3034-50-2
4(5)formylimidazole
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 1h; Ambient temperature; | 80.5% |
- 32673-41-9
4-hydroxymethyl-1H-imidazole hydrochloride
- 3034-50-2
4(5)formylimidazole
| Conditions | Yield |
|---|---|
| Stage #1: 4-hydroxymethyl-1H-imidazole hydrochloride With sodium carbonate In water neutralization; Stage #2: With manganese(IV) oxide In isopropyl alcohol Oxidation; Heating; | 77% |
| Stage #1: 4-hydroxymethyl-1H-imidazole hydrochloride With sodium hydrogencarbonate In methanol Stage #2: With manganese(IV) oxide In 1,4-dioxane for 2h; Heating / reflux; |
| Conditions | Yield |
|---|---|
| With sodium periodate In water at 27 - 30℃; for 2h; | 54% |
- 3034-50-2
4(5)formylimidazole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol for 1h; Heating; Yield given; |
| Conditions | Yield |
|---|---|
| With oxygen; purine In water Product distribution; Quantum yield; Mechanism; Irradiation; further solvent and additives; with 18O-labeled oxygen as well; |
- 340699-23-2
4(5)-(D-arabinotetritol-1-yl)-imidazole
- 3034-50-2
4(5)formylimidazole
| Conditions | Yield |
|---|---|
| With sodium periodate In water |
| Conditions | Yield |
|---|---|
| Stage #1: C11H23N(15)N2O2SSi Stage #2: N-methyl-N-(2-pyridyl)-formamide |
1H-Imidazole-4-carbaldehyde Chemical Properties
Empirical Formula: C4H4N2O
Molecular Weight: 96.0874
Nominal Mass: 96 Da
Average Mass: 96.0874 Da
Monoisotopic Mass: 96.032363 Da
EINECS: 221-227-3
Index of Refraction: 1.62
Molar Refractivity: 25.53 cm3
Molar Volume: 72.6 cm3
Surface Tension: 64.7 dyne/cm
Density: 1.322 g/cm3
Flash Point: 179.8 °C
Enthalpy of Vaporization: 61.44 kJ/mol
Boiling Point: 367.8 °C at 760 mmHg
Vapour Pressure: 1.33E-05 mmHg at 25 °C
Melting point: 174-177 °C(lit.)
Sensitive: Air sensitive
Appearance: White to light yellow powder
Structure of 1H-Imidazole-5-carboxaldehyde (CAS NO.3034-50-2):
IUPAC Name: 1H-Imidazole-5-carbaldehyde
Canonical SMILES: C1=C(NC=N1)C=O
InChI: InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)
InChIKey: ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Product Category of Titanium(III,IV) oxide (CAS NO.12065-65-5): Nitrogen cyclic compounds;Heterocycles;Carbonyl Compounds;Heterocycles series;Aldehydes;Imidazoles & Benzimidazoles;Imidazol & Benzimidazole
1H-Imidazole-4-carbaldehyde Uses
1H-Imidazole-5-carboxaldehyde (CAS NO.3034-50-2) is often used in histamine and oncolytic drugs .
1H-Imidazole-4-carbaldehyde Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 36/37/38-20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
1H-Imidazole-4-carbaldehyde Specification
1H-Imidazole-5-carboxaldehyde , its cas register number is 3034-50-2. It also can be called 4-Formylimidazole ; 4-Imidazolecarboxaldehyde ; and Imidazole-4(1H)-carboxaldehyde .
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