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14090-83-6

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Basic Information
CAS No.: 14090-83-6
Name: METHYL (PHENYLSULFINYL)ACETATE
Article Data: 29
Molecular Structure:
Molecular Structure of 14090-83-6 (METHYL (PHENYLSULFINYL)ACETATE)
Formula: C9H10O3S
Molecular Weight: 198.243
Synonyms: Aceticacid, (phenylsulfinyl)-, methyl ester (8CI,9CI);2-(Phenylsulfinyl)acetic acidmethyl ester;Methoxycarbonylmethyl phenyl sulfoxide;Methyl(phenylsulfinyl)acetate;Methyl 2-(phenylsulfinyl)acetate;Phenylsulfinylaceticacid methyl ester;
EINECS: 237-936-6
Density: 1.29 g/cm3
Melting Point: 52-54 °C(lit.)
Boiling Point: 341.2 °C at 760 mmHg
Flash Point: 164.2 °C
Safety: 22-24/25
PSA: 62.58000
LogP: 1.83290
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Specification

The Acetic acid,2-(phenylsulfinyl)-, methyl ester, with the CAS registry number 14090-83-6, is also known as Methyl 2-phenylsulfinylacetate. It belongs to the product categories of Organic Building Blocks; Sulfoxides; Sulfur Compounds. Its EINECS registry number is 237-936-6. This chemical's molecular formula is C9H10O3S and molecular weight is 198.24. Its systematic name is called methyl (phenylsulfinyl)acetate. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contacting it with skin and eyes.

Physical properties of Acetic acid,2-(phenylsulfinyl)-, methyl ester: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 2.12; (5)ACD/BCF (pH 7.4): 2.12; (6)ACD/KOC (pH 5.5): 59.62; (7)ACD/KOC (pH 7.4): 59.62; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 51.37 cm3; (12)Molar Volume: 153.4 cm3; (13)Surface Tension: 57.4 dyne/cm; (14)Density: 1.29 g/cm3; (15)Flash Point: 164.2 °C; (16)Enthalpy of Vaporization: 58.49 kJ/mol; (17)Boiling Point: 341.2 °C at 760 mmHg; (18)Vapour Pressure: 8.15E-05 mmHg at 25°C.

Uses of Acetic acid,2-(phenylsulfinyl)-, methyl ester: it can be used to produce 2-benzenesulfinyl-hexanoic acid methyl ester at ambient temperature. This reaction will need reagent NaH and solvents tetrahydrofuran, hexamethylphosphoric acid triamide with reaction time of 10 hours. The yield is about 90%.

Acetic acid,2-(phenylsulfinyl)-, methyl ester can be used to produce 2-benzenesulfinyl-hexanoic acid methyl ester with 1-bromo-butane

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1ccccc1)CC(=O)OC
(2)InChI: InChI=1/C9H10O3S/c1-12-9(10)7-13(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: JPPXZUDQIXZLIL-UHFFFAOYAT