Pentabromophenol

Names

[ CAS No. ]:
608-71-9

[ Name ]:
Pentabromophenol

[Synonym ]:
Pentabromophenol
Phenol, 2,3,4,5,6-pentabromo-
EINECS 210-167-3
2,3,4,5,6-pentabromophenol
MFCD00002147

Chemical & Physical Properties

[ Density]:
2.9±0.1 g/cm3

[ Boiling Point ]:
352.3±37.0 °C at 760 mmHg

[ Melting Point ]:
223-226 °C(lit.)

[ Molecular Formula ]:
C₆HBr₅O

[ Molecular Weight ]:
488.591

[ Flash Point ]:
166.9±26.5 °C

[ Exact Mass ]:
483.594391

[ PSA ]:
20.23000

[ LogP ]:
6.10

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.719

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong bases.

[ Water Solubility ]:
Insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SM6125000

CHEMICAL NAME :: Phenol, pentabromo-

CAS REGISTRY NUMBER :: 608-71-9

BEILSTEIN REFERENCE NO. :: 1876757

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C6-H-Br5-O

MOLECULAR WEIGHT :: 488.62

WISWESSER LINE NOTATION :: QR BE CE DE EE FE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,527,1986

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,288,1953

Safety Information

[ Symbol ]:

GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301 + H311 + H331-H315-H319-H335-H400

[ Precautionary Statements ]:
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R23/24/25;R36/37/38;R50/53

[ Safety Phrases ]:
S26-S36/37-S45-S60-S61

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
SM6125000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2908199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Anisole
Phenol
2,3,4,5-tetrabromo-6-hydroxybenzoic acid
2,3,4,6-Tetrabromophenol
3,5-Dibromosalicylic acid
2,4,6-Tribromophenol
Trinitrophenol
2,4,6-Triiodophenol
Propoxybenzene
4-tert-Butylphenol

DownStream

Tribromonitromethane
2,3,5,6-Tetrabromo-1,4-benzoquinone
OCTABROMIDIBENZO-PARA-DIOXIN
2,3,5-tribromocyclohexa-2,5-diene-1,4-dione
11-(2,3,4,5,6-pentabromophenoxy)undecan-1-ol
Pentabromophenyl methacrylate
PERBROMOBENZENE
3,5-Dibromophenol
Bromobenzene
1,3-Dibromo-5-methoxybenzene

Customs

[ HS Code ]: 2908199090

[ Summary ]:
HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

Articles

Molecular characterization of brominated persistent pollutants using extended X-ray absorption fine structure (EXAFS) spectroscopy.

Anal. Bioanal. Chem 390(3) , 921-8, (2008)

X-ray absorption fine structure (EXAFS) spectroscopy spectra were collected for three brominated persistent pollutants: 6-bromo-2,4,5-trichlorophenol (BrTriClP), pentabromophenol (PentaBrP) and 3,3',5...

Structure of human transthyretin complexed with bromophenols: a new mode of binding.

Acta Crystallogr. D Biol. Crystallogr. 56(Pt 9) , 1085-95, (2000)

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 comp...

Investigations on acute hepato- and nephrotoxicity of pentabromophenol.

Int. J. Occup. Med. Environ. Health 8(3) , 245-54, (1995)

Pentabromophenol (PBP) was administered in a single or repeated doses to mice or in a single dose to rats. Slight changes were noted in the level of SGPT in mice serum and GSH in the liver, with a mor...