2-(1H-Imidazol-2-yl)-malonaldehyde supplier

Name
2-(1H-Imidazol-2-yl)-malonaldehyde
EINECS
CAS No. 51076-59-6
Article Data3
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point 280 °C (decomp)
Formula C₆H₆N₂O₂
Boiling Point 305.781 °C at 760 mmHg
Molecular Weight 138.12
Flash Point 143.195 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1H-IMIDAZOL-2-YL)-MALONALDEHYDE;2-(1H-Imidazol-2-yl)-malondialdehyde
PSA 62.82000
LogP -0.10890

2-(1H-Imidazol-2-yl)-malonaldehyde Specification

This chemical is called 2-(1H-Imidazol-2-yl)-malonaldehyde, and its systematic name is 1H-imidazol-2-ylpropanedial. With the molecular formula of C₆H₆N₂O₂, its molecular weight is 138.12. The CAS registry number of this chemical is 51076-59-6.

Other characteristics of the 2-(1H-Imidazol-2-yl)-malonaldehyde can be summarised as followings: (1)ACD/LogP: -1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 62.82 Å²; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 33.336 cm³; (13)Molar Volume: 105.689 cm3; (14)Polarizability: 13.215×10^-24cm³; (15)Surface Tension: 59.74 dyne/cm; (16)Density: 1.307 g/cm³; (17)Flash Point: 143.195 °C; (18)Enthalpy of Vaporization: 54.625 kJ/mol; (19)Boiling Point: 305.781 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=CC(C=O)c1nccn1
2.InChI: InChI=1/C6H6N2O2/c9-3-5(4-10)6-7-1-2-8-6/h1-5H,(H,7,8)
3.InChIKey: LZUBFSKJDPQINC-UHFFFAOYAX

Product Name

2-(1H-Imidazol-2-yl)-malonaldehyde

2-(1H-Imidazol-2-yl)-malonaldehyde Specification

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