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CAS No.: | 106147-85-7 |
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Name: | 4-(Chloromethyl)-5-methyl-1-(triphenylmethyl)-1H-imidazole |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C24H21ClN2 |
Molecular Weight: | 372.897 |
Synonyms: | 4-(chloromethyl)-5-methyl-1-(triphenylmethyl)-1H-imidazole;4-chloromethyl-5-methyl-1-tritylimidazole;4-Chloromethyl-5-methyl-1-triphenylmethylimidazole;1-trityl-4-chloromethyl-5-methylimidazole;4-Chloromethyl-5-methyl-1-trityl-1H-imidazole; |
Density: | 1.116 g/cm3 |
Melting Point: | 133-135 °C |
Boiling Point: | 517.571 °C at 760 mmHg |
Flash Point: | 266.818 °C |
PSA: | 17.82000 |
LogP: | 5.77050 |
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The 4-(Chloromethyl)-5-methyl-1-trityl-1H-imidazole, with the CAS registry number 106147-85-7, is also known as 4-(Chloromethyl)-5-methyl-1-(triphenylmethyl)-1H-imidazole. This chemical's molecular formula is C24H21ClN2 and molecular weight is 372.89. What's more, its systematic name is called 4-(Chloromethyl)-5-methyl-1-trityl-1H-imidazole.
Physical properties about 4-(Chloromethyl)-5-methyl-1-trityl-1H-imidazole are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 3960; (6)ACD/BCF (pH 7.4): 9933; (7)ACD/KOC (pH 5.5): 10020; (8)ACD/KOC (pH 7.4): 25136; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 114.918 cm3; (15)Molar Volume: 334.048 cm3; (16)Surface Tension: 42.299 dyne/cm; (17)Density: 1.116 g/cm3; (18)Flash Point: 266.818 °C; (19)Enthalpy of Vaporization: 76.012 kJ/mol; (20)Boiling Point: 517.571 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1ncn(c1C)C(c2ccccc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C24H21ClN2/c1-19-23(17-25)26-18-27(19)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18H,17H2,1H3
(3) InChIKey: AHHFSTCSFJWTEF-UHFFFAOYAR