1H-Imidazole-2-acetonitrile supplier

Name
(1H-IMIDAZOL-2-YL)-ACETONITRILE
EINECS
CAS No. 23184-45-4
Article Data3
CAS DataBase
Density 1.228 g/cm³
Solubility
Melting Point
Formula C₅H₅N₃
Boiling Point 402.4 °C at 760 mmHg
Molecular Weight 107.115
Flash Point 134.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Cyanomethylimidazole;
PSA 52.47000
LogP 0.47578

1H-Imidazole-2-acetonitrile Specification

The 1H-Imidazole-2-acetonitrile, with the CAS registry number of 23184-45-4, is also known as 1-Cyanomethylimidazole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₅H₅N₃ and molecular weight is 107.1133. What's more, its systematic name is 1H-Imidazol-2-ylacetonitrile.

Physical properties about the 1H-Imidazole-2-acetonitrile are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 7.02; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 52.47 Å²; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 28.24 cm³; (12)Molar Volume: 87.1 cm³; (13)Surface Tension: 63.3 dyne/cm; (14)Density: 1.228 g/cm³; (15)Flash Point: 134.1 °C; (16)Enthalpy of Vaporization: 65.36 kJ/mol; (17)Boiling Point: 402.4 °C at 760 mmHg; (18)Vapour Pressure: 1.1E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCc1nccn1
(2) InChI: InChI=1/C5H5N3/c6-2-1-5-7-3-4-8-5/h3-4H,1H2,(H,7,8)
(3) InChIKey: BOIZRKNKILSBTB-UHFFFAOYAD

Product Name

(1H-IMIDAZOL-2-YL)-ACETONITRILE

1H-Imidazole-2-acetonitrile Specification

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