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CAS No.: | 31722-49-3 |
---|---|
Name: | 1H-Imidazole-2-carbonitrile |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C4H3N3 |
Molecular Weight: | 93.0879 |
Synonyms: | Imidazole-2-carbonitrile(8CI);2-Cyanoimidazole; |
Density: | 1.28 g/cm3 |
Melting Point: | 176-177 °C(Solv: benzene (71-43-2)) |
Boiling Point: | 276 °C at 760 mmHg |
Flash Point: | 103.7 °C |
PSA: | 52.47000 |
LogP: | 0.28138 |
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The 1H-Imidazole-2-carbonitrile, with the CAS registry number 31722-49-3, is also known as Imidazole, 2-cyano-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C4H3N3 and molecular weight is 93.0867. Its systematic name is called 1H-imidazole-2-carbonitrile.
Physical properties of 1H-Imidazole-2-carbonitrile: (1)ACD/LogP: -0.24; (2)ACD/LogD (pH 5.5): -0.24; (3)ACD/LogD (pH 7.4): -0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.66; (7)ACD/KOC (pH 7.4): 17.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.551; (11)Molar Refractivity: 23.04 cm3; (12)Molar Volume: 72.1 cm3; (13)Surface Tension: 71.5 dyne/cm; (14)Density: 1.28 g/cm3; (15)Flash Point: 103.7 °C; (16)Enthalpy of Vaporization: 51.45 kJ/mol; (17)Boiling Point: 276 °C at 760 mmHg; (18)Vapour Pressure: 0.00493 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1nccn1
(2)InChI: InChI=1/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)
(3)InChIKey: QMQZIXCNLUPEIN-UHFFFAOYAR