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2,3,4,5,6-Pentabromophenol

CAT: 0572-TRC-P237840-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P237840-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
608-71-9
Synonyms
Phenol, 2,3,4,5,6-pentabromo-; Phenol, pentabromo- (6CI,7CI,8CI,9CI); 2,3,4,5,6-Pentabromophenol; Bromophenasic acid; Flammex 5BP; NSC 5717; Pentabromophenol; Perbromophenol
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
Molecular Formula
C6 H Br5 O
Molecular Weight
488.59
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
Additionnal Information
IUPAC name: 2,3,4,5,6-pentabromophenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pentabromophenol

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

CAS Number608-71-9
PubChem CID11852
IUPAC Name2,3,4,5,6-pentabromophenol
Molecular FormulaC6HBr5O
Molecular Weight488.59
XLogP5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity150
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
SVHOVVJFOWGYJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentabromophenol
CAS: 608-71-9
CID: 11852
Formula: C6HBr5O
MW: 488.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.59
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass487.59033
Monoisotopic Mass483.59443
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CS-O-395304,4-difluoropiperidine-2,2,3,3,5,5,6,6-d8
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