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CAS No.: | 946061-13-8 |
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Name: | 2-Chloro-1-ethyl-1H-imidazole |
Molecular Structure: | |
Formula: | C5H7ClN2 |
Molecular Weight: | 130.577 |
Synonyms: | 1H-imidazole, 2-chloro-1-ethyl-;2-chloro-1-ethyl-imidazole;2-Chloro-1H-ethylimidazole; |
Density: | 1.2 g/cm3 |
Boiling Point: | 225.3 °C at 760 mmHg |
Flash Point: | 90.1 °C |
PSA: | 17.82000 |
LogP: | 1.55640 |
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The 2-Chloro-1-ethyl-1H-imidazole, with the CAS registry number 946061-13-8, is also known as 1H-imidazole, 2-chloro-1-ethyl-. It belongs to the product categories of Building Blocks; Imidazole. This chemical's molecular formula is C5H7ClN2 and molecular weight is 130.58. What's more, its systematic name is 2-chloro-1-ethyl-imidazole.
Physical properties of 2-Chloro-1-ethyl-1H-imidazole are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.58; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.82 Å2; (9)Index of Refraction: 1.55; (10)Molar Refractivity: 34.46 cm3; (11)Molar Volume: 108 cm3; (12)Polarizability: 13.66×10-24 cm3; (13)Surface Tension: 37.6 dyne/cm; (14)Density: 1.2 g/cm3; (15)Flash Point: 90.1 °C; (16)Enthalpy of Vaporization: 46.18 kJ/mol; (17)Boiling Point: 225.3 °C at 760 mmHg; (18)Vapour Pressure: 0.087 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCn1ccnc1Cl
(2)InChI: InChI=1/C5H7ClN2/c1-2-8-4-3-7-5(8)6/h3-4H,2H2,1H3
(3)InChIKey: RLXIEZPBTPFWKL-UHFFFAOYAP