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Methyl 3-(4-chlorosulfonyl)phenylpropionate

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Name

Methyl 3-(4-chlorosulfonyl)phenylpropionate

EINECS N/A
CAS No. 374537-95-8 Density 1.344 g/cm3
PSA 68.82000 LogP 2.80050
Solubility N/A Melting Point 64-65 °C
Formula C10H11ClO4S Boiling Point 352 °C at 760 mmHg
Molecular Weight 262.714 Flash Point 166.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 374537-95-8 (METHYL 3-(4-CHLOROSULFONYL)PHENYLPROPIONATE) Hazard Symbols R34:Causes burns.;
Synonyms

3-(4-Chlorosulfonylphenyl)propionicacid methyl ester;Methyl 3-(4-chlorosulfonylphenyl)propionate;Methyl4-chlorosulfonylbenzenepropanoate;

Article Data 2

Methyl 3-(4-chlorosulfonyl)phenylpropionate Specification

The Methyl 3-(4-chlorosulfonyl)phenylpropionate, with the CAS registry number 374537-95-8, is also known as Benzenepropanoic acid, 4-(chlorosulfonyl)-, methyl ester. This chemical's molecular formula is C10H11ClO4S and molecular weight is 262.71. Its systematic name is called methyl 3-[4-(chlorosulfonyl)phenyl]propanoate.

Physical properties of Methyl 3-(4-chlorosulfonyl)phenylpropionate: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.45; (6)ACD/BCF (pH 7.4): 20.45; (7)ACD/KOC (pH 5.5): 301.89; (8)ACD/KOC (pH 7.4): 301.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 60.77 cm3; (14)Molar Volume: 195.4 cm3; (15)Surface Tension: 45 dyne/cm; (16)Density: 1.344 g/cm3; (17)Flash Point: 166.7 °C; (18)Enthalpy of Vaporization: 59.68 kJ/mol; (19)Boiling Point: 352 °C at 760 mmHg; (20)Vapour Pressure: 3.96E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc(CCC(=O)OC)cc1
(2)InChI: InChI=1/C10H11ClO4S/c1-15-10(12)7-4-8-2-5-9(6-3-8)16(11,13)14/h2-3,5-6H,4,7H2,1H3
(3)InChIKey: MLBUSWRSGABXFY-UHFFFAOYAJ

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