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3034-50-2

Basic Information
CAS No.: 3034-50-2
Name: 1H-Imidazole-4-carbaldehyde
Molecular Structure:
Molecular Structure of 3034-50-2 (1H-Imidazole-4-carbaldehyde)
Formula: C4H4N2O
Molecular Weight: 96.09
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
Solubility:
Appearance: White to light yellow powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-36/37/39
Transport Information:
PSA: 45.75000
LogP: 0.22220
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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 .

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