Basic Information | Post buying leads | Suppliers |
Name |
4-Methyl-1H-imidazole-2-carbaldehyde |
EINECS | N/A |
CAS No. | 113825-16-4 | Density | 1.238 g/cm3 |
PSA | 45.75000 | LogP | 0.53060 |
Solubility | N/A | Melting Point |
140-145°C |
Formula | C10H11ClN2S | Boiling Point | 298.8 °C at 760 mmHg |
Molecular Weight | 110.115 | Flash Point | 139 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes |
Xi:; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1H-Imidazole-2-carboxaldehyde,4-methyl- (9CI); |
The 1H-Imidazole-2-carboxaldehyde,5-methyl-, with the CAS registry number 113825-16-4, is also known as 4-Methyl-1H-imidazole-2-carbaldehyde. It belongs to the product category of Aldehyde. This chemical's molecular formula is C10H11ClN2S and molecular weight is 226.73. What's more, its IUPAC name is called 5-Methyl-1H-imidazole-2-carbaldehyde. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1H-Imidazole-2-carboxaldehyde,5-methyl- are: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.98; (8)ACD/KOC (pH 7.4): 28.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 30.35 cm3; (15)Molar Volume: 88.9 cm3; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.238 g/cm3; (18)Flash Point: 139 °C; (19)Enthalpy of Vaporization: 53.88 kJ/mol; (20)Boiling Point: 298.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00124 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cnc(C=O)n1
(2) InChI: InChI=1/C5H6N2O/c1-4-2-6-5(3-8)7-4/h2-3H,1H3,(H,6,7)
(3) InChIKey: AEYQOYLTLFOCHR-UHFFFAOYAJ