CAS No.53981-69-4,1-(1H-IMIDAZOL-2-YL)-ETHANONE HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53981-69-4
Name:	1-(1H-IMIDAZOL-2-YL)-ETHANONE HCL
Article Data:	12

Formula:	C₅H₆N₂O
Molecular Weight:	110.115
Synonyms:	Ketone,imidazol-2-yl methyl (7CI);1-(1H-Imidazol-2-yl)-1-ethanone;2-Acetylimidazole;2-Imidazolyl methyl ketone;
Density:	1.19 g/cm³
Melting Point:	136-138℃
Boiling Point:	269.4 °C at 760 mmHg
Flash Point:	120.8 °C
Risk Codes:	36
Safety:	26
PSA:	45.75000
LogP:	1.41430

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Specification

The Ethanone,1-(1H-imidazol-2-yl)-, with the CAS registry number 53981-69-4, is also known as 2-Acetylimidazole. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₅H₆N₂O and molecular weight is 110.1139. Its systematic name is called 1-(1H-imidazol-2-yl)ethanone.

Physical properties of Ethanone,1-(1H-imidazol-2-yl)-: (1)ACD/LogP: -0.46; (2)ACD/LogD (pH 5.5): -0.46; (3)ACD/LogD (pH 7.4): -0.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.32; (7)ACD/KOC (pH 7.4): 13.37; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 28.8 cm³; (13)Molar Volume: 92.5 cm³; (14)Surface Tension: 50.1 dyne/cm; (15)Density: 1.19 g/cm³; (16)Flash Point: 120.8 °C; (17)Enthalpy of Vaporization: 50.75 kJ/mol; (18)Boiling Point: 269.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00727 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nccn1)C
(2)InChI: InChI=1/C5H6N2O/c1-4(8)5-6-2-3-7-5/h2-3H,1H3,(H,6,7)
(3)InChIKey: OSMJIXXVEWORDJ-UHFFFAOYAA