Basic Information | Post buying leads | Suppliers |
Name |
1H-Imidazole,2-chloro-1-(ethoxymethyl)- |
EINECS | N/A |
CAS No. | 850429-55-9 | Density | 1.22 g/cm3 |
PSA | 27.05000 | LogP | 1.53050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9ClN2O | Boiling Point | 253.4 °C at 760 mmHg |
Molecular Weight | 160.603 | Flash Point | 107.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Chloro-1-ethoxymethylimidazole;2-Chloro-1-(ethoxymethyl)-1H-imidazole; |
The IUPAC name of 1H-Imidazole,2-chloro-1-(ethoxymethyl)- is 2-chloro-1-(ethoxymethyl)imidazole. With the CAS registry number 850429-55-9, it is also named as 2-Chloro-1-(ethoxymethyl)-1H-imidazole. The product's categories are Blocks; Imidazoles. In addition, its molecular formula is C6H9ClN2O and its molecular weight is 160.6.
The other characteristics of 1H-Imidazole,2-chloro-1-(ethoxymethyl)- can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.05; (6)ACD/BCF (pH 7.4): 7.13; (7)ACD/KOC (pH 5.5): 140.33; (8)ACD/KOC (pH 7.4): 141.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 40.45 cm3; (15)Molar Volume: 130.8 cm3; (16)Polarizability: 16.03×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 107.1 °C; (20)Enthalpy of Vaporization: 49.08 kJ/mol; (21)Boiling Point: 253.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0183 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1nccn1COCC
(2)InChI: InChI=1/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
(3)InChIKey: DONYAQVHLUVENE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
(5)Std. InChIKey: DONYAQVHLUVENE-UHFFFAOYSA-N