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97-18-7

97-18-7 structural image
Product Name: Bithionol
Formula: C12H6Cl4O2S
Synonyms: 2,2′-Thio-bis(4,6-dichlorophenol);Bis(2-hydroxy-3,5-dichlorophenyl) sulfide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical 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)
Color/Form White or grayish-white, crystalline powder
Odor Odorless or with slight aromatic or phenolic odor
Melting Point 365.9 to 367.7 °F (NTP, 1992)
Solubility less than 1 mg/mL at 73 °F (NTP, 1992)
Density 1.73 (NTP, 1992) - Denser than water; will sink
Vapor Pressure 1.1e-09 mmHg at 99 °F (NTP, 1992)
Decomposition When heated to decomposition it emits very toxic fumes of /hydrogen chloride and sulfur oxides/.
Dissociation Constants 4.82
Other Experimental Properties log Kow= 4.13 /Bithionol sulfoxide/
Chemical Classes Other Uses -> Biocides/Disinfectants

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 356.0 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 355.881311 g/mol
Monoisotopic Mass 353.884261 g/mol
Topological Polar Surface Area 65.8 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 282
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

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)