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3034-50-2

Basic Information
CAS No.: 3034-50-2
Name: 1H-Imidazole-4-carbaldehyde
Article Data: 35
Cas Database
Molecular Structure:
Molecular Structure of 3034-50-2 (1H-Imidazole-4-carbaldehyde)
Formula: C4H4N2O
Molecular Weight: 96.0886
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;
EINECS: 221-227-3
Density: 1.322 g/cm3
Melting Point: 174-177 °C(lit.)
Boiling Point: 367.8 °C at 760 mmHg
Flash Point: 179.8 °C
Appearance: White to light yellow powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-36/37/39
PSA: 45.75000
LogP: 0.22220
Synthetic route
822-55-9

(1H-imidazol-4-yl)methanol

3034-50-2

4(5)formylimidazole

Conditions
ConditionsYield
With manganese(IV) oxide In methanol99%
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
ConditionsYield
With acetic acid In methanol for 7h; Heating;98%
With acetic acid In methanol for 13h; Heating;82%
2302-25-2

4-bromo-1 H-imidazole

68-12-2, 33513-42-7

N,N-dimethyl-formamide

3034-50-2

4(5)formylimidazole

Conditions
ConditionsYield
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
ConditionsYield
With hydrogenchloride for 1h; Ambient temperature;80.5%
32673-41-9

4-hydroxymethyl-1H-imidazole hydrochloride

3034-50-2

4(5)formylimidazole

Conditions
ConditionsYield
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;
2644-71-5

4-[(1'R,2'S,3'R)-1',2',3',4'-tetrahydroxybutyl]-imidazole

3034-50-2

4(5)formylimidazole

Conditions
ConditionsYield
With sodium periodate In water at 27 - 30℃; for 2h;54%

N-((E)-2-Amino-1-formyl-vinyl)-formamide

3034-50-2

4(5)formylimidazole

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 1h; Heating; Yield given;
3465-72-3

urocanic Acid

3034-50-2

4(5)formylimidazole

Conditions
ConditionsYield
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
ConditionsYield
With sodium periodate In water

C11H23N(15)N2O2SSi

67242-59-5

N-methyl-N-(2-pyridyl)-formamide

3034-50-2

4(5)formylimidazole

Conditions
ConditionsYield
Stage #1: C11H23N(15)N2O2SSi
Stage #2: N-methyl-N-(2-pyridyl)-formamide
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  • CAS:3034-50-2    1H-imidazole-5-carbaldehyde

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    CAS:3034-50-2 1H-imidazole-5-carbaldehyde

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Chemistry

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

Uses

 1H-Imidazole-5-carboxaldehyde (CAS NO.3034-50-2) is often used in  histamine and oncolytic drugs .

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
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.

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 .