CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2,4,5-trichlorophenol appears as colorless needles, gray flakes or off-white lumpy solid. Phenolic odor. Formerly used as a fungicide and bactericide. |
|---|---|
| Color/Form | Needles from alcohol, petroleum ether |
| Odor | Strong phenolic odor |
| Taste | Taste threshold concentration in water is 1.0 ug/L |
| Boiling Point | 487 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 154 °F (NTP, 1992) |
| Flash Point | 133.0 °C (271.4 °F) (Closed cup) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.678 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | greater than 1 (NTP, 1992) (Relative to Air) |
| Vapor Pressure | 1 mmHg at 162 °F ; 5 mmHg at 215.8 °F (NTP, 1992) |
| LogP | log Kow = 3.72 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomp, it emits toxic fumes of /hydrogen chloride/ and explodes. |
| Heat of Vaporization | 13,237.0 g cal/g mole |
| pH | Weak monobasic acid |
| Odor Threshold | Odor threshold in water is as follows: 100 ug/l at 30 °C, 1000 ug/l @ 25 °C. |
| Dissociation Constants | pKa = 7.43 |
| Kovats Retention Index | 1335 1346 1359 1356 1338 1356 1370 1362 1384 1338 1322 1327 1362 1327 |
| Other Experimental Properties | As a group, the chlorophenols are characterized by an odor which has been described as unpleasant, medicinal, pungent, phenolic, strong, or persistent. /Chlorinated phenols/ |
| 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 H410: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 | 197.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.924948 g/mol |
| Monoisotopic Mass | 195.924948 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 120 |
| 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
2,4,5-trichlorophenol appears as colorless needles, gray flakes or off-white lumpy solid. Phenolic odor. Formerly used as a fungicide and bactericide.