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The 1-Butanol,2,3,4-trichloro-, 1-acetate, with the CAS registry number 35128-50-8, is also known as 1-Butanol,2,3,4-trichloro-, acetate (9CI). This chemical's molecular formula is C6H9Cl3O2 and molecular weight is 219.4935. What's more, its systematic name is called 2,3,4-Trichlorobutyl acetate.
Physical properties about 1-Butanol,2,3,4-trichloro-, 1-acetate are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.467; (8)Molar Refractivity: 46.08 cm3; (9)Molar Volume: 165.9 cm3; (10)Surface Tension: 35.7 dyne/cm; (11)Density: 1.322 g/cm3; (12)Flash Point: 114.4 °C; (13)Enthalpy of Vaporization: 51.1 kJ/mol; (14)Boiling Point: 272.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00598 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C(Cl)COC(=O)C)CCl
(2) InChI: InChI=1/C6H9Cl3O2/c1-4(10)11-3-6(9)5(8)2-7/h5-6H,2-3H2,1H3
(3) InChIKey: YJZNPEOYUFNCNW-UHFFFAOYAQ