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3,3-Dibromo-4,4-biphenol

3,3-Dibromo-4,4-biphenol

Name: 3,3-Dibromo-4,4-biphenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C12H8Br2O2

Molecular Weight:

344.00

CAS Number:

189039-64-3

Catalog Number:

189039-64-3

Product Information

Molecular Formula:

C12H8Br2O2

Molecular Weight:

344.00

Description

3,3-Dibromo-4,4-biphenol exhibits antimicrobial properties and has shown promising results in combating bacterial infections. Additionally, it has been studied for its potential use in the treatment of certain types of cancer due to its inhibitory effects on tumor cell growth.

Synonyms

3,3'-Dibromobiphenyl-4,4'-diol

IUPAC Name

2-bromo-4-(3-bromo-4-hydroxyphenyl)phenol

Canonical SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)O)Br)Br)O

InChI

InChI=1S/C12H8Br2O2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6,15-16H

InChI Key

RJGXLSPAKXWJGN-UHFFFAOYSA-N

Melting Point

122 °C

Purity

>98.0%(T)

Appearance

White to Orange to Green powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

4.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

343.88706 g/mol

Monoisotopic Mass

341.88910 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

213

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113773699-A	Ultraviolet curing packaging ink based on two-dimensional epoxy monomer containing silicon-oxygen side chain, use method and application thereof	2021-11-08
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JP-2012111719-A	Polymerizable monomer, organic device material containing the polymer, hole injecting and transporting material, organic electroluminescent element material, and organic electroluminescent element	2010-11-25
US-2008318108-A1	Solid Electrolyte, Membrane and Electrode Assembly, and Fuel Cell	2007-06-22
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JP-2007287687-A	Membrane / electrode assembly and fuel cell	2006-03-24
US-2007231671-A1	Catalyst Material For Use In Fuel Cell, Catalyst Membrane, Membrane Electrode Assembly and Fuel Cell	2006-03-24
JP-2007287675-A	Membrane electrode assembly and fuel cell	2006-03-20