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Phenol, 2,6-dichloro-4-(methylsulfonyl)-

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Name

Phenol, 2,6-dichloro-4-(methylsulfonyl)-

EINECS N/A
CAS No. 20951-05-7 Density 1.57 g/cm3
PSA 62.75000 LogP 3.18330
Solubility N/A Melting Point 223-224 °C
Formula C7H6Cl2O3S Boiling Point 400 °C at 760 mmHg
Molecular Weight 241.09 Flash Point 195.7 °C
Transport Information N/A Appearance white solid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 20951-05-7 (2,6-DICHLORO-4-(METHYLSULFONYL)PHENOL) Hazard Symbols IrritantXi
Synonyms

2,6-Dichloro-4-(methylsulfonyl)phenol;2,6-Dichloro-4-methylsulfonylphenol;

 

Phenol, 2,6-dichloro-4-(methylsulfonyl)- Specification

The Phenol, 2,6-dichloro-4-(methylsulfonyl)-, with the CAS registry number 20951-05-7, is also known as 2,6-Dichloro-4-methylsulfonylphenol. This chemical's molecular formula is C7H6Cl2O3S and molecular weight is 241.09. What's more, its systematic name is 2,6-dichloro-4-(methylsulfonyl)phenol. When using it, you must avoid contact with skin and eyes.

Physical properties of Phenol, 2,6-dichloro-4-(methylsulfonyl)- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 51.75 Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 51.38 cm3; (9)Molar Volume: 153.5 cm3; (10)Polarizability: 20.36×10-24cm3; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.57 g/cm3; (13)Flash Point: 195.7 °C; (14)Enthalpy of Vaporization: 67.61 kJ/mol; (15)Boiling Point: 400 °C at 760 mmHg; (16)Vapour Pressure: 5.71E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1O)S(=O)(=O)C
(2)InChI: InChI=1S/C7H6Cl2O3S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
(3)InChIKey: CTBGNTCBLZAIRI-UHFFFAOYSA-N

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