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CAS No.: | 219313-00-5 |
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Name: | 4-(2,4,6-TRICHLOROPHENYLOXY)-1-BUTANOL |
Molecular Structure: | |
Formula: | C10H11Cl3O2 |
Molecular Weight: | 269.55 |
Synonyms: | 4-(2,4,6-Trichlorophenoxy)butan-1-ol; |
Density: | 1.373 g/cm3 |
Boiling Point: | 374.7 °C at 760 mmHg |
Flash Point: | 180.4 °C |
PSA: | 29.46000 |
LogP: | 3.79810 |
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The 1-Butanol,4-(2,4,6-trichlorophenoxy)-, with the CAS registry number 219313-00-5, is also known as 4-(2,4,6-Trichlorophenyloxy)-1-butanol. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H11Cl3O2 and molecular weight is 269.55. What's more, both its IUPAC name and systematic name are the same which is called 4-(2,4,6-Trichlorophenoxy)butan-1-ol.
Physical properties about 1-Butanol,4-(2,4,6-trichlorophenoxy)- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 63.05 cm3; (9)Molar Volume: 196.3 cm3; (10)Surface Tension: 44.7 dyne/cm; (11)Density: 1.373 g/cm3; (12)Flash Point: 180.4 °C; (13)Enthalpy of Vaporization: 65.64 kJ/mol; (14)Boiling Point: 374.7 °C at 760 mmHg; (15)Vapour Pressure: 2.79E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)cc(Cl)c1OCCCCO
(2) InChI: InChI=1/C10H11Cl3O2/c11-7-5-8(12)10(9(13)6-7)15-4-2-1-3-14/h5-6,14H,1-4H2
(3) InChIKey: RDPSHXAYWTWVEW-UHFFFAOYAY