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CAS No.: | 115617-41-9 |
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Name: | 4,5-Dichloro-6-ethylpyrimidine |
Molecular Structure: | |
Formula: | C6H6Cl2N2 |
Molecular Weight: | 177.033 |
Synonyms: | 4,5-Dichloro-6-ethylpyrimidine; |
Density: | 1.335 g/cm3 |
Boiling Point: | 245.859 °C at 760 mmHg |
Flash Point: | 126.262 °C |
PSA: | 25.78000 |
LogP: | 2.34580 |
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This chemical is called 4,5-Dichloro-6-ethylpyrimidine, and its systematic name is pyrimidine, 4,5-dichloro-6-ethyl-. With the molecular formula of C6H6Cl2N2, its molecular weight is 177.03. The CAS registry number of this chemical is 115617-41-9.
Other characteristics of the 4,5-Dichloro-6-ethylpyrimidine can be summarised as followings: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 348; (8)ACD/KOC (pH 7.4): 348; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 41.775 cm3; (15)Molar Volume: 132.6 cm3; (16)Polarizability: 16.561×10-24cm3; (17)Surface Tension: 45.245 dyne/cm; (18)Density: 1.335 g/cm3; (19)Flash Point: 126.262 °C; (20)Enthalpy of Vaporization: 46.34 kJ/mol; (21)Boiling Point: 245.859 °C at 760 mmHg; (22)Vapour Pressure: 0.044 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(Cl)ncnc1CC
2.InChI: InChI=1/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
3.InChIKey: RPVZESOQOOPTGU-UHFFFAOYAX