88-06-2
Product Name:
2,4,6-Trichlorophenol
Formula:
C6H3Cl3O
Synonyms:
2,4,6-Trichlorophenol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2,4,6-trichlorophenol appears as yellow to pinkish-orange needles or orange fluffy solid. Strong phenolic odor. (NTP, 1992) |
|---|---|
| Color/Form | Crystals from ligroin |
| Odor | Strong phenolic odor |
| Taste | Taste threshold in water: 2.0 ug/l |
| Boiling Point | 475 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 157.1 °F (NTP, 1992) |
| Flash Point | 99 °C c.c. |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Density | 1.675 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 1 mmHg at 169.7 °F ; 5 mmHg at 222.6 °F (NTP, 1992) |
| LogP | log Kow = 3.69 |
| Stability/Shelf Life | Stable up to its melting point |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
| Heat of Vaporization | 14,092.8 g cal/g mole |
| pH | Moderately acidic substance |
| Odor Threshold | Odor Threshold Low: 200.0 [mmHg] Odor threshold (recognition) from CHEMINFO |
| Dissociation Constants | pKa = 6.23 at 25 °C |
| Kovats Retention Index | 1335 1326 1330 1327 1339 1349 1346 1331 1346 1360 1349 1367 1331 1335 1320 1325 1326 1336 1349 1315 1387.9 |
| Other Experimental Properties | Specific gravity: 1.675 at 25 °C/4 °C |
| Chemical Classes | Other Classes -> Chlorophenols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H351:Carcinogenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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. P308+P313:IF exposed or concerned: Get medical advice/attention. |
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 | 108 |
| 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
2,4,6-trichlorophenol appears as yellow to pinkish-orange needles or orange fluffy solid. Strong phenolic odor. (NTP, 1992)