1H-Imidazole-4,5-dimethanol supplier

Name
1H-Imidazole-4,5-dimethanol
EINECS
CAS No. 33457-48-6
Article Data4
CAS DataBase
Density 1.446 g/cm³
Solubility
Melting Point 162 °C
Formula C₅H₈N₂O₂
Boiling Point 487.6 °C at 760 mmHg
Molecular Weight 128.131
Flash Point 248.7 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-Di(hydroxymethyl)imidazole;Imidazole-4,5-dimethanol(7CI,8CI);
PSA 69.14000
LogP -0.60570

1H-Imidazole-4,5-dimethanol Specification

The CAS register number of 1H-Imidazole-4,5-dimethanol is 33457-48-6. It also can be called as 4,5-Di(hydroxymethyl)imidazole and the systematic name about this chemical is 1H-imidazole-4,5-diyldimethanol. It belongs to the Imidazoles. When you are using it, please avoid contact with skin and eyes.

Physical properties about 1H-Imidazole-4,5-dimethanol are: (1)ACD/LogP: -2.36; (2)ACD/LogD (pH 5.5): -3.08; (3)ACD/LogD (pH 7.4): -2.38; (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): 1.18; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 36.28Å²; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 31.67 cm³; (14)Molar Volume: 88.6 cm³; (15)Polarizability: 12.55x10^-24cm³; (16)Surface Tension: 83.8 dyne/cm; (17)Enthalpy of Vaporization: 79.37 kJ/mol; (18)Boiling Point: 487.6 °C at 760 mmHg; (19)Vapour Pressure: 2.54E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,5-dihydroxymethyl-1-triphenylmethylimidazole. This reaction also can produce triphenylmethanol. It will need reagent glacial acetic acid. The reaction time is 1.5 hour(s) at heating. The yield is about 98.5 %.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ncnc1CO
(2)InChI: InChI=1/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7)
(3)InChIKey: AGJXDKGTTMVHOU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7)
(5)Std. InChIKey: AGJXDKGTTMVHOU-UHFFFAOYSA-N

Product Name

1H-Imidazole-4,5-dimethanol

1H-Imidazole-4,5-dimethanol Specification

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