CAS 97-18-7 2,2'-Thiobis(4,6-dichlorophenol)

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Monomers

2,2'-Thiobis(4,6-dichlorophenol)

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Catalog Number

ACM97187

Product Name

2,2'-Thiobis(4,6-dichlorophenol)

Structure

CAS

97-18-7

Category

Monomers

Description

2,2'-thiobis(4,6-dichlorophenol) appears as white or grayish white crystalline powder with a very faint aromatic or phenolic odor. (NTP, 1992)

IUPAC Name

2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol

Molecular Weight

356g/mol

Molecular Formula

C12H6Cl4O2S

Canonical SMILES

C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl

InChI

InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H

InChI Key

JFIOVJDNOJYLKP-UHFFFAOYSA-N

Melting Point

365.9 to 367.7 °F (NTP, 1992);188.0 °C;188 °C

Density

1.73 (NTP, 1992);1.73 at 25 °C/4 °C

Solubility

less than 1 mg/mL at 73° F (NTP, 1992);1.12e-05 M;Sol in dil caustic soln. A 4% sodium hydroxide soln will dissolve 16.2% bithionol. 15.0 g/100 ml acetone; 19.0 g/100 ml polysorbate 80; 72.5 g/100 ml dimethylacetamide; 5.0 g/100 ml lanolin at 42 °C; 4.0 g/100 ml pine oil; 1.0 g/100 ml corn oil; 0.5 g/100 ml propylene glycol; 0.3 g/100 ml 70% ethanol;Freely sol in ether; sol in chloroform and dilute soln of fixed alkali hydroxides;In water, 4 mg/L at 25 °C

Color/Form

White or grayish-white, crystalline powder

Complexity

282

Covalently-Bonded Unit Count

EC Number

202-565-0

Exact Mass

355.881311g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 5.91 (est)

MeSH Entry Terms

Bithionol;Bitin

Monoisotopic Mass

353.884261g/mol

NSC Number

47129;9872

Odor

Odorless or with slight aromatic or phenolic odor

Other Experimental

Henry's Law constant = 1.0X10-13 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.8X10-12 cu cm/molec-sec at 25 °C (est);log Kow= 4.13 /Bithionol sulfoxide/

Rotatable Bond Count

UNII

AMT77LS62O

UN Number

2811

Vapor Pressure

1.1e-09 mm Hg at 99 °F (NTP, 1992);1.1X10-9 mm Hg at 37 °C

XLogP3

5.8

MSDS

Download MSDS

COA