-
Name
(4-Chlorosulfonylphenoxy)acetic acid methyl ester
- EINECS
- CAS No. 56077-78-2
- Article Data7
- CAS DataBase
- Density 1.419 g/cm3
- Solubility
- Melting Point 63-64°C
- Formula C9H9ClO5S
- Boiling Point 381.487 °C at 760 mmHg
- Molecular Weight 264.686
- Flash Point 184.517 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aceticacid, [4-(chlorosulfonyl)phenoxy]-, methyl ester (9CI);Acetic acid,[p-(chlorosulfonyl)phenoxy]-, methyl ester (6CI);(4-Chlorosulfonylphenoxy)acetic acid methyl ester;Methyl(4-chlorosulfonylphenoxy)acetate;Methyl 2-[4-(chlorosulfonyl)phenoxy]acetate;
- PSA 78.05000
- LogP 2.24670
Methyl 2-[4-(chlorosulfonyl)phenoxy]acetate Specification
The Methyl 2-[4-(chlorosulfonyl)phenoxy]acetate with the cas number 56077-78-2 is also called Acetic acid,2-[4-(chlorosulfonyl)phenoxy]-, methyl ester. The systematic name is methyl [4-(chlorosulfonyl)phenoxy]acetate. Its molecular formula is C9H9ClO5S. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 222; (8)ACD/KOC (pH 7.4): 222; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 78.05 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 57.886 cm3; (15)Molar Volume: 186.587 cm3; (16)Polarizability: 22.948×10-24cm3; (17)Surface Tension: 46.204 dyne/cm; (18)Enthalpy of Vaporization: 62.977 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc(OCC(=O)OC)cc1
(2)InChI: InChI=1/C9H9ClO5S/c1-14-9(11)6-15-7-2-4-8(5-3-7)16(10,12)13/h2-5H,6H2,1H3
(3)InChIKey: ISHZBFTYSQSGBF-UHFFFAOYAO
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