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CAS No.: | 69232-47-9 |
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Name: | Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C11H11ClO6S |
Molecular Weight: | 306.724 |
Synonyms: | Benzenesulfonyl chloride, 4-[bis(acetyloxy)methyl]-; |
Density: | 1.419 g/cm3 |
Melting Point: | 111-113 °C(Solv: acetone (67-64-1); ligroine (8032-32-4)) |
Boiling Point: | 406.457 °C at 760 mmHg |
Flash Point: | 199.618 °C |
PSA: | 95.12000 |
LogP: | 2.81970 |
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This chemical is called Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester, and its systematic name is [4-(Chlorosulfonyl)phenyl]methylene diacetate. With the molecular formula of C11H11ClO6S, its molecular weight is 306.72. The CAS registry number of this chemical is 69232-47-9.
Other characteristics of the Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester can be summarised as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 95.12 Å2; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 67.241 cm3; (9)Molar Volume: 216.139 cm3; (10)Polarizability: 26.656×10-24cm3; (11)Surface Tension: 48.279 dyne/cm; (12)Density: 1.419 g/cm3; (13)Flash Point: 199.618 °C; (14)Enthalpy of Vaporization: 65.819 kJ/mol; (15)Boiling Point: 406.457 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClS(=O)(=O)c1ccc(cc1)C(OC(=O)C)OC(=O)C
2.InChI: InChI=1/C11H11ClO6S/c1-7(13)17-11(18-8(2)14)9-3-5-10(6-4-9)19(12,15)16/h3-6,11H,1-2H3
3.InChIKey: MUXCHHLNVLPPPB-UHFFFAOYAE