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583-78-8

583-78-8 structural image
Product Name: 2,5-Dichlorophenol
Formula: C6H4Cl2O
Synonyms: 2,5-Dichlo-1-hydroxybenzene;2,5-Dichlorophenol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Prisms (from benzene, petroleum ether) or white crystals. Odor threshold 30 micrograms/liter at 68-72 °F; 33 micrograms/liter at 86 °F. Taste threshold 0.5 micrograms/liter. (NTP, 1992)
Color/Form Prisms from benzene and petroleum ether
Taste Taste Threshold in water - 0.5 ug/l.
Boiling Point 412 °F at 760 mmHg (NTP, 1992)
Melting Point 133 to 136 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
Vapor Density Relative vapor density (air = 1): 5.6
Vapor Pressure 0.06 [mmHg]
LogP log Kow = 3.06
Decomposition When heated to decomposition it emits toxic vapors of /hydrogen chloride/.
Odor Threshold In water 33 ug/L at 30 °C.
Dissociation Constants pKa = 7.51
Kovats Retention Index 1149 1156 1166 1170 1165 1162 1170 1181 1162 1140 1132.2
Chemical Classes Other Classes -> Chlorophenols

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 163.00 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 161.9639201 g/mol
Monoisotopic Mass 161.9639201 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 97.1
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

Prisms (from benzene, petroleum ether) or white crystals. Odor threshold 30 micrograms/liter at 68-72 °F; 33 micrograms/liter at 86 °F. Taste threshold 0.5 micrograms/liter. (NTP, 1992)

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