Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol,2-(methylsulfonyl)- |
EINECS | N/A |
CAS No. | 27489-33-4 | Density | 1.328 g/cm3 |
PSA | 62.75000 | LogP | 1.87650 |
Solubility | N/A | Melting Point |
78-84 ºC |
Formula | C7H8O3S | Boiling Point | 358.8 °C at 760 mmHg |
Molecular Weight | 172.205 | Flash Point | 170.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-(Methylsulfonyl)phenol;2-Hydroxyphenyl methyl sulfone;Phenol,o-(methylsulfonyl)- (6CI,7CI,8CI);o-(Methylsulfonyl)phenol;2-(Methanesulfonyl)phenol; |
Article Data | 12 |
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