Tetrabromobisphenol A Bis(2-hydroxyethyl) Ether - ≥93% , CAS No.4162-45-2

CAS: 4162-45-2 Cat. No.: T162227 Molecular Weight: 631.98 EC Number: 224-005-4

GRADE & PURITY ≥93%

Synonyms

TBBPA-DHEE | 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 # |

Storage

Room temperature

Shipped In

Normal

Overview

Solubility in Methanol almost transparency

Specifications

Synonyms

TBBPA-DHEE | 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 # |

Specifications & Purity

≥93%

Storage

Room temperature

Shipped In

Normal

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 488182586
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182586
• Canonical Smiles: CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br
• IUPAC Name: 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
• InChIKey: RVHUMFJSCJBNGS-UHFFFAOYSA-N
• 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
• 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=

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

Data sources

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

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Methanol
• 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 Ų
• 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

References

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).  [PMID:] [10.1002/macp.201700143]

2. Yuyan Sun, Mengmeng Tan, Xiaoyu Zhou, Yi Li, Dun Jin, Xiao Yu, Fenghua Li, Haitao Wang, Qixian Zhang.  (2026)  Self-Healing Polyurethanes With Tunable Mechanical Properties via a Rigid–Dynamic Dual Network Strategy.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.70419]