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[(2R)-5-oxotetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate

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Name

[(2R)-5-oxotetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate

EINECS N/A
CAS No. 58879-33-7 Density 1.311 g/cm3
PSA 78.05000 LogP 2.48670
Solubility N/A Melting Point 85-88 °C(lit.)
Formula C12H14O5S Boiling Point 476.5 °C at 760 mmHg
Molecular Weight 270.306 Flash Point 242 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 58879-33-7 ((R)-(-)-GAMMA-TOLUENESULFONYLMETHYL-GAMMA-BUTYROLACTONE) Hazard Symbols IrritantXi
Synonyms

2(3H)-Furanone,dihydro-5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (R)-;(R)-(-)-Dihydro-5-[[(p-tolylsulfonyl)oxy]methyl]-2(3H)-furanone;

Article Data 7

[(2R)-5-oxotetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate Specification

This chemical is called [(2R)-5-oxotetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate, and its CAS registry number is 58879-33-7. With the molecular formula of C12H14O5S, its molecular weight is 270.30. Additionally, its product categories are Chiral Building Blocks; Lactones; Organic Building Blocks.

Other characteristics of the [(2R)-5-oxotetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate can be summarised as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.14; (8)ACD/KOC (pH 7.4): 31.14; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 78.05 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 64.88 cm3; (15)Molar Volume: 206.1 cm3; (16)Polarizability: 25.72×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.311 g/cm3; (19)Flash Point: 242 °C; (20)Enthalpy of Vaporization: 74.03 kJ/mol; (21)Boiling Point: 476.5 °C at 760 mmHg; (22)Vapour Pressure: 3.03E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(=O)(OC[C@@H]1OC(=O)CC1)c2ccc(cc2)C
2.InChI: InChI=1/C12H14O5S/c1-9-2-5-11(6-3-9)18(14,15)16-8-10-4-7-12(13)17-10/h2-3,5-6,10H,4,7-8H2,1H3/t10-/m1/s1
3.InChIKey: MGAXYKDBRBNWKT-SNVBAGLBBO

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