CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pentabromophenol is a light brown powder. Insoluble in water. (NTP, 1992) |
|---|---|
| Color/Form | Monoclinic prisms from acetic acid; needles from alcohol |
| Boiling Point | Sublimes (NTP, 1992) |
| Melting Point | 445.1 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| Vapor Pressure | 0.00000038 [mmHg] |
| LogP | 6 |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| Ionization Efficiency | Negative |
| Dissociation Constants | pKa = 4.62 |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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 | 488.59 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 487.59033 g/mol |
| Monoisotopic Mass | 483.59443 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 150 |
| 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
Pentabromophenol is a light brown powder. Insoluble in water. (NTP, 1992)