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4,4′-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol] - 98%, high purity , CAS No.4162-45-2

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4,4′-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol] - 98%, high purity , CAS No.4162-45-2

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 4162-45-2
Molecular Weight: 631.98
MDL number: MFCD00059603
PubChem CID: 20113

In stock

Item Number

I473291

Grouped product items
SKU	Size	Availability	Price	Qty
I473291-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90

Basic Description

Synonyms	Ethanol, 2,2'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy))bis- \| 2,2-Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propane \| SCHEMBL25899 \| 2-(2,6-Dibromo-4-(1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-methylethyl)phenoxy)ethanol # \| Tetrabromobi
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Phenylpropanes Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Primary alcohols Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
INCHI	InChI=1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3
InChIKey	RVHUMFJSCJBNGS-UHFFFAOYSA-N
Smiles	CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br
Isomeric SMILES	CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br
Molecular Weight	631.98
Reaxy-Rn	10722358
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10722358&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	117-121℃
Molecular Weight	632.000 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	631.805 Da
Monoisotopic Mass	627.81 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	391.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Zhongchuan Peng, Dongyang Yi, Zhaohong Xue, Huayi Li, Qian Li, Youliang Hu. (2017) Synthesis of Dendritic Polyethylene Brushes with Polysiloxane as the Main Chain. MACROMOLECULAR CHEMISTRY AND PHYSICS, 218 (16): (1700143).

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