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CAS No.: | 63354-05-2 |
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Name: | 2-[(2,4-dichlorophenoxy)methyl]-1,3-oxathiolan-5-one |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H8Cl2O3S |
Molecular Weight: | 279.144 |
Synonyms: | 1,3-Oxathiolan-5-one,2-[(2,4-dichlorophenoxy)methyl]- (9CI);NSC 302087; |
Density: | 1.476 g/cm3 |
Boiling Point: | 471.4 °C at 760 mmHg |
Flash Point: | 238.9 °C |
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The CAS register number of 5-Oxathiolanone,2-[(2,4-dichlorophenoxy)methyl]- is 63354-05-2. It also can be called as 1,3-Oxathiolan-5-one,2-[(2,4-dichlorophenoxy)methyl]- (9CI) and the systematic name about this chemical is 2-[(2,4-dichlorophenoxy)methyl]-1,3-oxathiolan-5-one. The molecular formula about this chemical is C10H8Cl2O3S and the molecular weight is 279.1397.
Physical properties about 5-Oxathiolanone,2-[(2,4-dichlorophenoxy)methyl]- are: (1)ACD/LogP: 2.07; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 60.83 Å2; (5)Index of Refraction: 1.597; (6)Molar Refractivity: 64.46 cm3; (7)Molar Volume: 189 cm3; (8)Polarizability: 25.55x10-24cm3; (9)Surface Tension: 50.8 dyne/cm; (10)Density: 1.476 g/cm3; (11)Flash Point: 238.9 °C; (12)Enthalpy of Vaporization: 73.41 kJ/mol; (13)Boiling Point: 471.4 °C at 760 mmHg; (14)Vapour Pressure: 4.69E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(OCC1OC(=O)CS1)c(Cl)c2
(2)InChI: InChI=1/C10H8Cl2O3S/c11-6-1-2-8(7(12)3-6)14-4-10-15-9(13)5-16-10/h1-3,10H,4-5H2
(3)InChIKey: MXZKGVWNIMLANY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H8Cl2O3S/c11-6-1-2-8(7(12)3-6)14-4-10-15-9(13)5-16-10/h1-3,10H,4-5H2
(5)Std. InChIKey: MXZKGVWNIMLANY-UHFFFAOYSA-N