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87-65-0

87-65-0 structural image
Product Name: 2,6-Dichlorophenol
Formula: C6H4Cl2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,6-dichlorophenol is a white crystalline solid with a strong odor. Odor threshold concentration: 0.003 mg/L at 86 °F; 200 micrograms/liter at 68-72 °F. Taste threshold concentration: 0.0002 mg/L. (NTP, 1992)
Color/Form White crystals from petroleum ether
Taste Taste threshold in water 0.2 ug/l
Boiling Point 424 to 428 °F at 760 mmHg (NTP, 1992)
Melting Point 154 to 156 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 1.653 g/cu cm at 20 °C
Vapor Pressure 1 mmHg at 139.1 °F ; 5 mmHg at 189.7 °F; 10 mmHg at 213.8 °F (NTP, 1992)
LogP log Kow = 2.75
Decomposition When heated to decomp it emits toxic fumes of /hydrogen chloride/.
Heat of Vaporization 13,472.0 g cal/g mole
Odor Threshold In water 102 ug/L (mean value calculated from reported odor thresholds in other literature)
Dissociation Constants pKa = 6.79 at 25 °C in water
Kovats Retention Index 1179 1190 1198 1200 1194 1189 1200 1214 1206 1203 1189 1149 1151 1178 1179 1206 1168
Other Experimental Properties Heat of fusion: 32.47 cal/g= 135.85 J/g= 22,144 J/mol
Chemical Classes Other Classes -> Chlorophenols

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 2.7
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 87.1
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

2,6-dichlorophenol is a white crystalline solid with a strong odor. Odor threshold concentration: 0.003 mg/L at 86 °F; 200 micrograms/liter at 68-72 °F. Taste threshold concentration: 0.0002 mg/L. (NTP, 1992)

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