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| CAS No.: | 20485-43-2 |
|---|---|
| Name: | 1-Methyl-1H-imidazole-2-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C5H6N2O2 |
| Molecular Weight: | 126.115 |
| Synonyms: | Imidazole-2-carboxylicacid, 1-methyl- (8CI);1-Methyl-1H-2-imidazolecarboxylic acid;1-Methylimidazole-2-carboxylic acid; |
| EINECS: | 219-724-5 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 104 °C |
| Boiling Point: | 339.4 °C at 760 mmHg |
| Flash Point: | 159.1 °C |
| Appearance: | White crystalline solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-37/39-36 |
| PSA: | 55.12000 |
| LogP: | 0.11830 |
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Specification
The 1H-Imidazole-2-carboxylicacid, 1-methyl-, with the CAS registry number 20485-43-2, is also known as Imidazole-2-carboxylic acid, 1-methyl-. It belongs to the product categories of Blocks; Carboxes; Imidazoles; Imidazol & Benzimidazole; Miscellaneous Reagents; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C5H6N2O2 and molecular weight is 126.11. Its systematic name is called 1-methyl-1H-imidazole-2-carboxylic acid. This chemical is white crystalline solid which can be used as a useful synthetic intermediate for solid phase synthesis of polyamides containing imidazole. The product should be sealed at -15°C.
Physical properties of 1H-Imidazole-2-carboxylicacid, 1-methyl-: (1)ACD/LogP: -0.47; (2)ACD/LogD (pH 5.5): -2.94; (3)ACD/LogD (pH 7.4): -3.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 31.56 cm3; (13)Molar Volume: 93.4 cm3; (14)Surface Tension: 51.4 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 159.1 °C; (17)Enthalpy of Vaporization: 61.52 kJ/mol; (18)Boiling Point: 339.4 °C at 760 mmHg; (19)Vapour Pressure: 3.57E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nccn1C
(2)InChI: InChI=1/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9)
(3)InChIKey: WLDPWZQYAVZTTP-UHFFFAOYAG