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97-23-4

97-23-4 structural image
Product Name: Dichlorophen
Formula: C13H10Cl2O2
Synonyms: Bis(5-chloro-2-hydroxyphenyl)methane;Dichlorophen;Dichlorophene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dichlorophene appears as white slightly cream or light pink-colored powder. Melting point 177 °C. Slight phenolic odor and a saline phenolic taste. Moderately toxic. Used as a fungicide and bactericide.
Color/Form Colorless crystals
Odor Odorless
Melting Point 351 to 352 °F (NTP, 1992)
Solubility less than 1 mg/mL at 72 °F (NTP, 1992)
Vapor Pressure 1e-10 mmHg at 77 °F ; 0.0001 mmHg at 212 °F (NTP, 1992)
LogP log Kow = 4.26
Stability/Shelf Life Slowly oxidized in air. Acidic in reaction, and forms salts with aqueous alkalis. Photolysis in acidic solution in the absence of oxygen results in hydrolysis of one chlorine atom, to give the corresponding phenol; in the presence of oxygen, the corresponding benzoquinone is formed; the same products are formed at pH 9, together with 4-chloro-2,2'-methylenediphenol.
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Dissociation Constants pKa1 = 7.60; pKa2 = 11.6
Collision Cross Section 147.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2140 2140
Other Experimental Properties Slight phenolic smell, light tan powder /Technical grade/
Chemical Classes Other Uses -> Biocides/Disinfectants

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H319:Serious eye damage/eye irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 269.12 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 268.0057849 g/mol
Monoisotopic Mass 268.0057849 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 226
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

Dichlorophene appears as white slightly cream or light pink-colored powder. Melting point 177 °C. Slight phenolic odor and a saline phenolic taste. Moderately toxic. Used as a fungicide and bactericide.

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