ChemicalBook--->CAS DataBase List--->608-71-9

608-71-9

608-71-9 Structure

608-71-9 Structure
IdentificationMore
[Name]

Pentabromophenol
[CAS]

608-71-9
[Synonyms]

PENTABROMOHYDROXYBENZENE
PENTABROMOPHENOL
2,3,4,5,6-Pentabromophenol
Flammex 5BP
flammex5bp
Pentabromfenol
pentabromo-pheno
Phenol, pentabromo-
Pentabromophenol,98%
Bromophenasic acid
[EINECS(EC#)]

210-167-3
[Molecular Formula]

C6HBr5O
[MDL Number]

MFCD00002147
[Molecular Weight]

488.59
[MOL File]

608-71-9.mol
Chemical PropertiesBack Directory
[Appearance]

light brown powder
[Melting point ]

223-226 °C (lit.)
[Boiling point ]

352.3±37.0 °C(Predicted)
[density ]

2.894
[refractive index ]

1.5000 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.43±0.33(Predicted)
[color ]

Needles from EtOH
[Stability:]

Stable. Incompatible with strong oxidizing agents, strong bases.
[Water Solubility ]

Insoluble
[BRN ]

1876757
[InChI]

1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
[InChIKey]

SVHOVVJFOWGYJO-UHFFFAOYSA-N
[SMILES]

Oc1c(Br)c(Br)c(Br)c(Br)c1Br
[CAS DataBase Reference]

608-71-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Pentabromophenol(608-71-9)
[EPA Substance Registry System]

608-71-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

SM6125000
[TSCA ]

TSCA listed
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29081990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of Br-. See also BROMIDES.
[Hazardous Substances Data]

608-71-9(Hazardous Substances Data)
[Toxicity]

LDLo ipr-mus: 250 mg/kg CBCCT* 5,288,53
Hazard InformationBack Directory
[General Description]

Light brown powder. Insoluble in water.
[Reactivity Profile]

PENTABROMOPHENOL(608-71-9) 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.
[Air & Water Reactions]

Insoluble in water.
[Chemical Properties]

light brown powder
[Uses]

Flame retardant, molluscicide, and chemical intermediate.
[Purification Methods]

Purify it by crystallisation pKEst (charcoal) from toluene then from CCl4. Dry it for 2 weeks at ca 75o. The diethylammonium salt has m 191-193o (from MeOH). [Beilstein 6 H 206, 6 I 108, 6 II 197, 6 III 766, 6 IV 1069.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Pentabromophenol(608-71-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Pentabromophenol(608-71-9)MS
Pentabromophenol(608-71-9)1HNMR
Pentabromophenol(608-71-9)IR1
Pentabromophenol(608-71-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pentabromophenol, 99%(608-71-9)
[Alfa Aesar]

Pentabromophenol, 98%(608-71-9)
[Sigma Aldrich]

608-71-9(sigmaaldrich)
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