CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | 3,4-dichlorophenol appears as needles (from benzene, petroleum ether) or light brown and yellow crystals. Odor threshold 100 micrograms/liter. Taste threshold 0.3 micrograms/liter in water. (NTP, 1992) |
---|---|
Color/Form | Needles from benzene-petroleum ether |
Taste | Taste threshold in water: 0.3 ug/l |
Boiling Point | 488.3 °F at 767 mmHg (NTP, 1992) |
Melting Point | 151 to 154 °F (NTP, 1992) |
Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Vapor Pressure | 0.01 [mmHg] |
LogP | log Kow = 3.33 |
Decomposition | When heated to decomposition it emits toxic vapors of /hydrogen chloride/. |
Odor Threshold | In water: 100 ug/l |
Dissociation Constants | pKa = 8.63 |
Kovats Retention Index | 1382 1383 1391 1378 1387 1374 1378 1384 1385 1383.8 |
Other Experimental Properties | Aqueous solutions of Fenton's reagent iron (2+)+ hydrogen peroxide have been used to affect the total decomposition of the chlorophenols: 2-chlorophenol, 3-chlorophenol, 4-chlorophenol, 3,4-dichlorophenol and 2,4,5-trichorophenol. The mineralization of these chlorinated aromatic substrates to carbon dioxide and free chloride has been studied as a function of iron (2+)+ hydrogen peroxide and perchloric acid. Increasing the concentration of iron (2+)+ hydrogen peroxide enhances the decomposition process, while an increase in the concentration of perchloric acid, inhibits the reaction. The presence of iron (3+) alone without any iron (2+) with hydrogen peroxide has no effect on the degradation of the chlorophenols. In all cases, the stoichiometric quantity of free chloride was obtained at the completion of the decomposition reaction; but the rates of disappearance of the chlorophenol and of the formation of the chloride are not similar. |
Chemical Classes | Other Classes -> Chlorophenols |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
Molecular Weight | 163.00 g/mol |
---|---|
XLogP3 | 3.3 |
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
3,4-dichlorophenol appears as needles (from benzene, petroleum ether) or light brown and yellow crystals. Odor threshold 100 micrograms/liter. Taste threshold 0.3 micrograms/liter in water. (NTP, 1992)