1H-Imidazole-4-carboxaldehyde,1-methyl- (17289-26-8)

The 1H-Imidazole-4-carboxaldehyde,1-methyl-, with the cas registry number 17289-26-8, has the systematic name of 1-methyl-1H-imidazole-4-carbaldehyde. And its product categories are various, including aldehydes; imidazoles & benzimidazoles.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.79; (2)ACD/LogD (pH 5.5): -0.79; (3)ACD/LogD (pH 7.4): -0.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.86; (7)ACD/KOC (pH 7.4): 8.88; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 34.89; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 30.71 cm³; (13)Molar Volume: 96 cm³; (14)Polarizability: 12.17 ×10^-24 cm³ ; (15)Surface Tension: 42 dyne/cm; (16)Density: 1.14 g/cm³; (17)Flash Point: 135.3 °C; (18)Enthalpy of Vaporization: 54.02 kJ/mol; (19)Boiling Point: 300.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00114 mmHg at 25°C.

You should be cautious while dealing with this chemical. Being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. Therefore, you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
 
Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=Cc1ncn(c1)C
(2)InChI:InChI=1/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3
(3)InChIKey:CQZXDIHVSPZIGF-UHFFFAOYAP