Pentabromophenol

6

5.3

Insoluble (NTP, 1992)

Soluble in ethanol, benzene, acetic acid; slightly soluble in ether

Soluble in carbon disulfide

Solubility in water: none

Sublimes (NTP, 1992)

Sublimes

When heated to decomposition it emits toxic fumes of /hydrogen bromide/.

Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Hydrogen bromide gas.

445.1 °F (NTP, 1992)

229.5 °C

230 °C

0.00000038 [mmHg]

Vapor pressure, Pa at 25 °C: 0.00005

Pentabromophenol is a light brown powder. Insoluble in water. (NTP, 1992)

Beige to brown solid; [ICSC] Orange or tan powder; [MSDSonline]

BEIGE-TO-BROWN POWDER.

Negative

1.96

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

Hazard Traits - Bioaccumulation; Cardiovascular Toxicity; Dermatotoxicity; Environmental Persistence

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Not combustible.

No listed effects of short-term or long-term exposure; Insufficient data are available on the effect of this substance on human health, therefore utmost care must be taken. [ICSC] A skin, eye, and respiratory tract irritant; [HSDB] An irritant; [MSDSonline] See Pentachlorophenol.

PENTABROMOPHENOL reacts as a weak acid. Incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat may be generated by the acid-base reaction with bases.

Acute Tox. 3 (100%)

Acute toxicity (Oral) - Category 3

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

In case of fire in the surroundings, use appropriate extinguishing media.

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes.

Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam.

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.

Do not breathe dust. Do not get in eyes, on skin, on clothing. Avoid prolonged or repeated exposure.

For more Preventive Measures (Complete) data for PENTABROMOPHENOL (7 total), please visit the HSDB record page.

LC50; Species: Pimephales promelas (Fathead minnow); Conditions: flow-through bioassay with measured concentrations, 25.1 °C dissolved oxygen 7.0 mg/l, hardness 43.7 mg/l calcium carbonate, alkalinity 44.0 mg/l calcium carbonate, and pH 7.9; Concentration: 93.0 mg/L for 96 hr (confidence limit: 79.8-108 mg/L)

EC50; Species: Pimephales promelas (Fathead minnow); Conditions: flow-through bioassay with measured concentrations, 25.1 °C, dissolved oxygen 7.0 mg/L, hardness 43.7 mg/L calcium carbonate, alkalinity 44.0 mg/L calcium carbonate, and pH 7.9; Concentration: 93.0 mg/L for 96 hr (confidence limit: 79.8-108 mg/L); Effect: loss of equilibrium

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3,400(SRC), determined from a structure estimation method(2), indicates that pentabromophenol is expected to have slight mobility in soil(SRC). The pKa of pentabromophenol is 4.62(), indicating that this compound will almost entirely exist in anion form and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of pentabromophenol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.6X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(5). Pentabromophenol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.8X10-7 mm Hg(SRC), determined from a fragment constant method(6). A theoretical BOD of 0% over 4 weeks using activated sludge in the Japanese MITI test(7) suggests that biodegradation may not be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3,400(SRC), determined from a structure estimation method(2), indicates that pentabromophenol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 5.6X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), a BCF of 1.9(6) suggests the potential for bioconcentration in aquatic organisms is low(SRC). A theoretical BOD of 0% over 4 weeks using activated sludge in the Japanese MITI test(6) suggests that biodegradation may not be an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), pentabromophenol, which has an estimated vapor pressure of 3.8X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase pentabromophenol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 36 days(SRC), calculated from its rate constant of 4.5X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase pentabromophenol may be removed from the air by wet or dry deposition(SRC). By analogy to pentachlorophenol which has an absorption max of 303 nm(4), pentabromophenol may be susceptible to direct photolysis by sunlight(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of pentabromophenol can be estimated to be 3,400(SRC). According to a classification scheme(2), this estimated Koc value suggests that pentabromophenol is expected to have slight mobility in soil. The pKa of pentabromophenol is 4.62(3), indicating that this compound will almost entirely exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

A BCF of 1.9 to 20 was measured in fish for pentabromophenol using carp (Cyprinus carpio) which were exposed over a 28-day period(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The binding of two organohalogen substances, pentabromophenol (PBP) and 2,4,6-tribromophenol (TBP), to human transthyretin (TTR), a thyroid hormone transport protein, has been studied by in vitro competitive binding assays and by X-ray crystallography. Both compounds bind to TTR with high affinity, in competition with the natural ligand thyroxine (T4). The crystal structures of the TTR-PBP and TTR-TBP complexes show some unusual binding patterns for the ligands. They bind exclusively in the `reversed' mode, with their hydroxyl group pointing towards the mouth of the binding channel and in planes approximately perpendicular to that adopted by the T4 phenolic ring in a TTR-T4 complex, a feature not observed before. The hydroxyl group in the ligands, which was previously thought to be a key ingredient for a strong binding to TTR, does not seem to play an important role in the binding of these compounds to TTR. In the TTR-PBP complex, it is primarily the halogens which interact with the TTR molecule and therefore must account for the strong affinity of binding. The interactions with the halogens are smaller in number in TTR-TBP and there is a decrease in affinity, even though the interaction with the hydroxyl group is stronger than that in the TTR-PBP complex.

Used as flame retardant and to make pentabromophenoxy compounds; [HSDB]

Flame retardant

CHEM INT FOR PENTABROMOPHENOXY COMPOUNDS

PROBABLY BY REACTION OF 2,4,6-TRIBROMOPHENOL WITH ANHYDROUS BROMINE IN THE PRESENCE OF FERRIC BROMIDE AS A CATALYST

Organic bromine compounds can be produced by a number of different chemical reactions; however, addition and substitution reactions are the methods most commonly employed in industrial processes. /Organic bromine compounds/