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27489-33-4

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Basic Information
CAS No.: 27489-33-4
Name: 2-(METHYLSULFONYL)PHENOL
Article Data: 12
Molecular Structure:
Molecular Structure of 27489-33-4 (2-(METHYLSULFONYL)PHENOL)
Formula: C7H8O3S
Molecular Weight: 172.205
Synonyms: 2-(Methylsulfonyl)phenol;2-Hydroxyphenyl methyl sulfone;Phenol,o-(methylsulfonyl)- (6CI,7CI,8CI);o-(Methylsulfonyl)phenol;2-(Methanesulfonyl)phenol;
Density: 1.328 g/cm3
Melting Point: 78-84 ºC
Boiling Point: 358.8 °C at 760 mmHg
Flash Point: 170.8 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 62.75000
LogP: 1.87650
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Specification

The Phenol,2-(methylsulfonyl)-, with the CAS registry number 27489-33-4, is also known as 2-Hydroxyphenyl methyl sulfone. It belongs to the product categories of Blocks; BuildingBlocks. This chemical's molecular formula is C7H8O3S and molecular weight is 177.2. What's more, its systematic name is 2-(methylsulfonyl)phenol. 

Physical properties of Phenol,2-(methylsulfonyl)- are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.28; (8)ACD/KOC (pH 7.4): 11.71; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 41.72 cm3; (15)Molar Volume: 129.6 cm3; (16)Surface Tension: 46.5 dyne/cm; (17)Density: 1.328 g/cm3; (18)Flash Point: 170.8 °C; (19)Enthalpy of Vaporization: 62.82 kJ/mol; (20)Boiling Point: 358.8 °C at 760 mmHg; (21)Vapour Pressure: 1.2E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1O)C
(2)InChI: InChI=1S/C7H8O3S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,8H,1H3
(3)InChIKey: ZWTZHHHSRDUVRT-UHFFFAOYSA-N