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Basic Information
CAS No.: 16156-59-5
Name: Phenyl methanesulfonate
Article Data: 40
Molecular Structure:
Molecular Structure of 16156-59-5 (Phenyl methanesulfonate)
Formula: C7H8O3S
Molecular Weight: 172.205
Synonyms: NSC 243664;Phenoxy methyl sulfone;Phenyl mesylate;Phenyl methanesulfonate;
Density: 1.281 g/cm3
Melting Point: 62 °C
Boiling Point: 286.242 °C at 760 mmHg
Flash Point: 126.915 °C
Appearance: liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 51.75000
LogP: 2.10580
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Specification

The Phenyl methanesulfonate, with the cas registry number of 16156-59-5, is also called Methanesulfonic acid, phenyl ester. Its product categories are various, including Organic Building Blocks; Sulfonates/Sulfinates; Sulfur Compounds. And the molecular formula of the chemical is C7H8O3S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 51.75 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 41.93 cm3; (9)Molar Volume: 134.4 cm3; (10)Polarizability: 16.62×10-24cm3; (11)Surface Tension: 44.4 dyne/cm; (12)Density: 1.28 g/cm3; (13)Flash Point: 126.9 °C; (14)Enthalpy of Vaporization: 50.43 kJ/mol; (15)Boiling Point: 286.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0046 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(Oc1ccccc1)C
(2)InChI: InChI=1/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
(3)InChIKey: WXVUCMFEGJUVTN-UHFFFAOYAO