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Pentabromoethylbenzene

Pentabromoethylbenzene structure

CAS No:
85-22-3
Formula:
C8H5Br5
Chemical Name:
Pentabromoethylbenzene
Synonyms:
Benzene,1,2,3,4,5-pentabromo-6-ethyl-;Benzene,pentabromoethyl-;1,2,3,4,5-Pentabromo-6-ethylbenzene;Pentabromoethylbenzene;2,3,4,5,6-Pentabromoethylbenzene;EB 80;PBEB
Categories:
Analytical Chemistry > Standard

Description

2,3,4,5,6-Pentabromoethylbenzene is a solid of high bromine content (80 wt %) with a melting point of 136-138°C and a decomposition temperature of ca 210°C. The compound is prepared by the Friedel-Crafts-catalyzed bromination of ethyl benzene in an inert solvent. Its manufacturers recommends its use in epoxy resins, ABS and urethane foams.

Insoluble in water. (NTP, 1992)

Pentabromoethylbenzene Basic Attributes

Molecular Weight：

500.65

Exact Mass：

500.65

EC Number：

201-593-0

UNII：

697LYO57KP

DSSTox ID：

DTXSID7021782

HScode：

2903999090

Characteristics

PSA：

XLogP3：

6.06150

Appearance：

Insoluble in water. (NTP, 1992)

Density：

2.464g/cm3

Melting Point：

138 °C

Boiling Point：

413.3ºC at 760 mmHg

Flash Point：

197.2ºC

Refractive Index：

1.651

Water Solubility：

Insoluble (NTP, 1992)

Toxicity：

LD50 skn-rbt: >8 g/kg TSCAT* OTS0515763

Air and Water Reactions：

Insoluble in water.

Reactive Group：

Aryl Halides

Reactivity Profile：

Simple aromatic halogenated organic compounds, such as 2,3,4,5,6-PENTABROMOETHYLBENZENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

RTECS Number：

DA6639000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Fire Hazards：

Flash point data for this chemical are not available; it is probably combustible. (NTP, 1992)

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Nonfire Spill Response：

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment：

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxicity

Bioconcentration：

331.13

Mobility：

8.32e+04 L/kg

Drug Information

Biological Half-Life：

1.05 Days

Health Hazards：

ACUTE/CHRONIC HAZARDS: Toxic. Irritant. (NTP, 1992)

First Aid：

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. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

MeSH Entry Terms：

2,3,4,5,6-pentabromoethylbenzene

Pentabromoethylbenzene Use and Manufacturing

Manufacturing Info：

Benzene, 1,2,3,4,5-pentabromo-6-ethyl-: INACTIVE|S - indicates a substance that is identified in a final Significant New Use Rule.

Computed Properties

Molecular Weight:500.64
XLogP3:6.2
Rotatable Bond Count:1
Exact Mass:499.62671
Monoisotopic Mass:495.63081
Heavy Atom Count:13
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes