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2,4-Dibromophenol

CAT: 0572-TRC-D425745-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D425745-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
615-58-7
Synonyms
Phenol, 2,4-dibromo-; 2,4-Dibromophenol; NSC 5723; NSC 6213
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
Oc1ccc(Br)cc1Br
Molecular Formula
C6 H4 Br2 O
Molecular Weight
251.9
InChI
InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Additionnal Information
IUPAC name: 2,4-dibromophenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,4-Dibromophenol

2,4-dibromophenol is a bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines. It has a role as a marine metabolite. It is a brominated flame retardant, a bromophenol and a dibromobenzene.

CAS Number615-58-7
PubChem CID12005
IUPAC Name2,4-dibromophenol
Molecular FormulaC6H4Br2O
Molecular Weight251.90
XLogP3.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C=C1Br)Br)O
InChI
InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
FAXWFCTVSHEODL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dibromophenol
CAS: 615-58-7
CID: 12005
Formula: C6H4Br2O
MW: 251.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.90
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass251.86084
Monoisotopic Mass249.86289
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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