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) |
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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 |
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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 |
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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)