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Phenol,2,2'-sulfinylbis[4,6-dichloro-

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Name

Phenol,2,2'-sulfinylbis[4,6-dichloro-

EINECS 212-679-2
CAS No. 844-26-8 Density 1.86 g/cm3
Solubility Soluble in acetone and DMF Melting Point
Formula C12H6Cl4O3S Boiling Point 532.7 °C at 760 mmHg
Molecular Weight 372.05 Flash Point 276 °C
Transport Information Appearance Off white to tinch pink crystalline powder
Safety Risk Codes
Molecular Structure Molecular Structure of 844-26-8 (Phenol,2,2'-sulfinylbis[4,6-dichloro-) Hazard Symbols
Synonyms

3,5,3',5'-Tetrachloro-2,2'-dihydroxydiphenylsulfoxide;Bis(3,5-dichloro-2-hydroxyphenyl) sulfoxide;Bithionol sulfoxide;Bitin S;Disto-5-Cogla;Distobitin;Levacid;NSC 523910;Sulphene;Bithionoloxide;Bis(2-hydroxy-3,5-dichlorophenyl) sulfoxide;2,2'-Sulfinylbis[4,6-dichlorophenol];2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenylsulfoxide;

 

Phenol,2,2'-sulfinylbis[4,6-dichloro- Specification

The Phenol,2,2'-sulfinylbis[4,6-dichloro-, with the CAS registry number 844-26-8, is also known as Bis(2-hydroxy-3,5-dichlorophenyl) sulfoxide. This chemical's molecular formula is C12H6Cl4O3S and molecular weight is 372.05. What's more, its systematic name is 2,2'-Sulfinylbis(4,6-dichlorophenol) and its EINECS number is 212-679-2. Besides, its classification code is Mutation data.

Physical properties of Phenol,2,2'-sulfinylbis[4,6-dichloro- are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 32.21; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 216.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.74 Å2; (13)Index of Refraction: 1.769; (14)Molar Refractivity: 82.7 cm3; (15)Molar Volume: 199 cm3; (16)Polarizability: 32.78×10-24 cm3; (17)Surface Tension: 99.9 dyne/cm; (18)Density: 1.86 g/cm3; (19)Flash Point: 276 °C; (20)Enthalpy of Vaporization: 83.89 kJ/mol; (21)Boiling Point: 532.7 °C at 760 mmHg; (22)Vapour Pressure: 5.79E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)O)S(=O)C2=CC(=CC(=C2O)Cl)Cl)Cl
(2)InChI: InChI=1S/C12H6Cl4O3S/c13-5-1-7(15)11(17)9(3-5)20(19)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
(3)InChIKey: RPAJWWXZIQJVJF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56 mg/kg (56 mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01721.

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