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| CAS No.: | 13750-81-7 |
|---|---|
| Name: | 1-Methyl-2-imidazolecarboxaldehyde |
| Article Data: | 45 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6N2O |
| Molecular Weight: | 110.115 |
| Synonyms: | Imidazole-2-carboxaldehyde,1-methyl- (8CI);1-Methyl-1H-imidazole-2-carboxaldehyde;1-Methyl-2-formylimidazole;1-Methylimidazole-2-aldehyde;1-Methylimidazole-2-carboxaldehyde;2-Formyl-1-methylimidazol;2-Formyl-1-methylimidazole;N-Methylimidazole-2-carbaldehyde; |
| Density: | 1.14 g/cm3 |
| Melting Point: | 36-39 °C(lit.) |
| Boiling Point: | 250.8 °C at 760 mmHg |
| Flash Point: | 105.5 °C |
| Solubility: | Soluble in water. |
| Appearance: | White to yellow crystalline mass |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 34.89000 |
| LogP: | 0.23260 |
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Chemistry
IUPAC Name: 1-Methylimidazole-2-carbaldehyde
Synonyms of 1H-Imidazole-2-carboxaldehyde,1-methyl- (CAS NO.13750-81-7): 1-Methyl-2-imidazolecarboxaldehyde ; 1-Methyl-1H-imidazole-2-carbaldehyde
CAS NO: 13750-81-7
Molecular Formula: C5H6N2O
Molecular Weight: 110.11
Molecular Structure: 
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 34.89 Å2
Index of Refraction: 1.552
Molar Refractivity: 30.71 cm3
Molar Volume: 96 cm3
Surface Tension: 42 dyne/cm
Density: 1.14 g/cm3
Flash Point: 105.5 °C
Enthalpy of Vaporization: 48.81 kJ/mol
Boiling Point: 250.8 °C at 760 mmHg
Vapour Pressure: 0.0212 mmHg at 25°C
Melting Point: 36-39 °C(lit.)
Appearance:White to yellow crystalline mass.
InChI: InChI=1/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3
InChIKey: UEBFLTZXUXZPJO-UHFFFAOYAJ
Std. InChI: InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3
Std. InChIKey: UEBFLTZXUXZPJO-UHFFFAOYSA-N
Product Categories of 1H-Imidazole-2-carboxaldehyde,1-methyl- (CAS NO.13750-81-7): Aldehydes;Imidazoles & Benzimidazoles;Imidazol&Benzimidazole;Imidazoles & Benzimidazoles;Building Blocks;Heterocyclic Building Blocks;Imidazoles
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.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store1H-Imidazole-2-carboxaldehyde,1-methyl- (CAS NO.13750-81-7) in a cool, dry place. Store in a tightly closed container. Store under nitrogen.