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2,6-Dibromophenol

CAT: 0804-HY-Y1667-06Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1667-06Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,6-Dibromophenol (2,6-DBP) is a weak inhibitor targeting voltage-gated Ca2+ channels. 2,6-Dibromophenol has no significant effect on potassium-induced calcium elevation in PC12 cells. 2,6-Dibromophenol shows a 48 h EC50 of 2.78 mg/L for Daphnia magna and a 96 h EC50 of 9.90 mg/L for algae (Scenedesmus quadricauda) [1][2].
CAS Number
608-33-3
UNSPSC
12352005
Hazard Statement
H302+H312+H332
Target
Calcium Channel; Fungal; Parasite
Type
Natural Products
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/2-6-dibromophenol.html
Purity
99.83
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=C(Br)C=CC=C1Br
Molecular Formula
C6H4Br2O
Molecular Weight
251.91
Precautions
H302+H312+H332
References & Citations
[1]Hassenklöver T, et al. Bromophenols, both present in marine organisms and in industrial flame retardants, disturb cellular Ca2+ signaling in neuroendocrine cells (PC12) . Aquat Toxicol. 2006 Jan 5;76 (1) :37-45.|[2]Li B, et al. Acute Toxicities of Bromophenols to Alga and Daphina: Comparative Species Sensitivity Distribution Between Standard and Dietary Supplementation Tests. J Toxicol. 2025 May 11;2025:3399746.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

2,6-Dibromophenol

2,6-dibromophenol is a dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. It has a role as a marine metabolite. It is a bromohydrocarbon and a dibromophenol. It is functionally related to a 1,3-dibromobenzene.

CAS Number608-33-3
PubChem CID11847
IUPAC Name2,6-dibromophenol
Molecular FormulaC6H4Br2O
Molecular Weight251.90
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=CC(=C(C(=C1)Br)O)Br
InChI
InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
SSIZLKDLDKIHEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dibromophenol
CAS: 608-33-3
CID: 11847
Formula: C6H4Br2O
MW: 251.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.90
XLogP33.4
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
Complexity87.1
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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