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| CAS No.: | 68282-53-1 |
|---|---|
| Name: | 5-Methyl-1H-imidazole-4-carbaldehyde |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C5H6 N2 O |
| Molecular Weight: | 110.115 |
| Synonyms: | 1H-Imidazole-4-carboxaldehyde,5-methyl- (9CI); 4-Formyl-5-methyl-1H-imidazole; 4-Formyl-5-methylimidazole;4-Methyl-1H-imidazole-5-carboxaldehyde; 4-Methyl-5-formylimidazole;4-Methyl-5-imidazolecarboxaldehyde; 4-Methylimidazol-5-carboxaldehyde;4-Methylimidazole-5-carbaldehyde; 5-Methyl-1H-imidazole-4-carboxaldehyde;5-Methyl-3H-imidazole-4-carboxaldehyde; 5-Methyl-4-imidazolecarboxaldehyde;5-Methylimidazol-4-carboxaldehyde; 5-Methylimidazole-4-carbaldehyde |
| Density: | 1.238g/cm3 |
| Melting Point: | 165-166oC |
| Boiling Point: | 362.8oC at 760 mmHg |
| Flash Point: | 176.9oC |
| Solubility: | Soluble in water, (23 g/L) (25°C). |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| PSA: | 45.75000 |
| LogP: | 0.53060 |
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Chemistry
IUPAC Name: 5-Methyl-1H-imidazole-4-carbaldehyde
Following is the structure of 1H-Imidazole-5-carboxaldehyde,4-methyl- (CAS NO.68282-53-1):
Empirical Formula: C5H6N2O
Molecular Weight: 110.1139 g/mol
Molar Refractivity: 30.35 cm3
Molar Volume: 88.9 cm3
Density: 1.238 g/cm3
Flash Point: 176.9 °C
Melting point: 165-166 °C
Index of Refraction: 1.598
Surface Tension: 56.4 dyne/cm
Enthalpy of Vaporization: 60.88 kJ/mol
Boiling Point: 362.8 °C at 760 mmHg
Vapour Pressure of 1H-Imidazole-5-carboxaldehyde,4-methyl- (CAS NO.68282-53-1): 1.89E-05 mmHg at 25 °C
Product Categories of 1H-Imidazole-5-carboxaldehyde,4-methyl- (CAS NO.68282-53-1): ALDEHYDE; pharmacetical; Aldehydes; Imidazoles & Benzimidazoles; Heterocyclic Compounds; Imidazoles & Benzimidazoles; Building Blocks; Heterocyclic Building Blocks; Imidazoles
Canonical SMILES: CC1=C(N=CN1)C=O
InChI: InChI=1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)
InChIKey: KMWCSNCNHSEXIF-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xi
Risk Statements :36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
Specification
1H-Imidazole-5-carboxaldehyde,4-methyl- , its cas register number is 68282-53-1. It also can be called 5-Methyl-4-imidazolecarboxaldehyde ; 5-Methyl-1H-imidazole-4-carbaldehyde .