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| CAS No.: | 17325-26-7 |
|---|---|
| Name: | Methyl 4-imidazolecarboxylate |
| Article Data: | 21 |
| Molecular Structure: | |
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|
|
| Formula: | C5H6N2O2 |
| Molecular Weight: | 126.115 |
| Synonyms: | 1H-Imidazole-5-carboxylicacid, methyl ester;Imidazole-4(or 5)-carboxylic acid, methyl ester(7CI);3H-Imidazole-4-carboxylic acid methyl ester;4(5)-Imidazolecarboxylic acidmethyl ester;Methyl 1H-imidazole-4-carboxylate;Methyl imidazole-4(or 5)-carboxylate;Methylimidazole-5-carboxylate; |
| EINECS: | 626-673-6 |
| Density: | 1.275 g/cm3 |
| Melting Point: | 154-156 °C(lit.) |
| Boiling Point: | 318.2 °C at 760 mmHg |
| Flash Point: | 146.2 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 54.98000 |
| LogP: | 0.19630 |
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Chemistry
Empirical Formula: C5H6N2O2
Molecular Weight: 126.1133
Nominal Mass: 126 Da
Average Mass: 126.1133 Da
Monoisotopic Mass: 126.042927 Da
Index of Refraction: 1.53
Molar Refractivity: 30.55 cm3
Molar Volume: 98.8 cm3
Surface Tension: 52.2 dyne/cm
Density: 1.275 g/cm3
Flash Point: 146.2 °C
Melting point: 154-156 °C(lit.)
Appearance: White crystalline powder
Enthalpy of Vaporization: 55.96 kJ/mol
Boiling Point: 318.2 °C at 760 mmHg
Vapour Pressure: 0.000368 mmHg at 25 °C
Structure of Methyl 4-imidazolecarboxylate (CAS NO.17325-26-7):
Systematic Name: Methyl 1H-imidazole-5-carboxylate
SMILES: O=C(OC)c1cncn1
InChI: InChI=1/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
InChIKey: DVLGIQNHKLWSRU-UHFFFAOYAK
Std. InChI: InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
Std. InChIKey: DVLGIQNHKLWSRU-UHFFFAOYSA-N
Product Category of Methyl 4-imidazolecarboxylate (CAS NO.17325-26-7): Heterocyclic Compounds;Heterocyclic Building Blocks;Heterocycle;Imidazoles
Safety Profile
Hazard Codes of Methyl 4-imidazolecarboxylate (CAS NO.17325-26-7): 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Specification
Methyl 4-imidazolecarboxylate , its cas register number is 17325-26-7. It also can be called 1H-Imidazole-4-carboxylic acid, methyl ester ; and Methyl 1H-imidazole-4-carboxylate .