1,2-Bis(2,4,6-tribromophenoxy)ethane - ≥98% , CAS No.37853-59-1

CAS: 37853-59-1 Cat. No.: B331608 Molecular Weight: 687.64 EC Number: 253-692-3

GRADE & PURITY ≥98%

Synonyms

1,2-BIS(2,4,6-TRIBROMOPHENOXY)ETHANE | FireMaster FF 680 | 1,3,5-Tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene | FireMaster 680 | FF 680 | 1,1-(1,2-Ethanediylbis(oxy))bis(2,4,6-tribromobenzene) | BTBPE

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

1,2-Bis(2,4,6-tribromophenoxy)ethane is a major "novel" brominated flame retardant (NBFRs) from various polymer materials.

Specifications

Synonyms

1, 2-BIS(2, 4, 6-TRIBROMOPHENOXY)ETHANE | FireMaster FF 680 | 1, 3, 5-Tribromo-2-[2-(2, 4, 6-tribromophenoxy)ethoxy]benzene | FireMaster 680 | FF 680 | 1, 1-(1, 2-Ethanediylbis(oxy))bis(2, 4, 6-tribromobenzene) | BTBPE

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753561
• Canonical Smiles: C1=C(C=C(C(=C1Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)Br
• IUPAC Name: 1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene
• InChIKey: YATIGPZCMOYEGE-UHFFFAOYSA-N
• INCHI: 1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
• Isomeric SMILES: C1=C(C=C(C(=C1Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)Br
• Molecular Weight: 687.64
• Reaxy-Rn: 3168887
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3168887&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Chemical and Physical Properties

• Solubility: Soluble in chloroform, and water (0.2 mg/L at 25 °C).
• Sensitivity: light sensitive
• Boil Point(°C): ~566° C at 760 mmHg (Predicted)
• Melt Point(°C): 224-226° C
• Molecular Weight: 687.600 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 687.556 Da
• Monoisotopic Mass: 681.562 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 291.000
• 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. Rui Hou, Qianyi Huang, Yunfeng Pan, Lang Lin, Shan Liu, Hengxiang Li, Xiangrong Xu.  (2022)  Novel Brominated Flame Retardants (NBFRs) in a Tropical Marine Food Web from the South China Sea: The Influence of Hydrophobicity and Biotransformation on Structure-Related Trophodynamics.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:35175039] [10.1021/acs.est.1c08104]

2. Jun Shi, Xueting Wang, Lulu Chen, Huiping Deng, Min Zhang.  (2021)  HBCD, TBECH, and BTBPE exhibit cytotoxic effects in human vascular endothelial cells by regulating mitochondria function and ROS production.  ENVIRONMENTAL TOXICOLOGY,  36  (8): (1674-1682).  [PMID:33974337] [10.1002/tox.23163]

3. Tianning Chen, Pengfei Ye, Chen Yuan, Ling Fang, Nan Li, Guosheng Chen, Junlang Qiu, Fang Zhu, Gangfeng Ouyang.  (2025)  Investigating the impact of novel brominated flame retardants (NBFRs) on metabolite and nutritional profiles in aquatic organisms by in vivo solid-phase microextraction (SPME).  Advances in Sample Preparation,      [PMID:] [10.1016/j.sampre.2025.100212]

4. Zhongqi Dai, Yu Zhang, Meng Dong, Yanchao Chai, Jilong Ren, Lei Wang, Cui Han.  (2025)  Response of life-history traits, population dynamics, offspring size of Brachionus plicatilis exposure to BTBPE.  ENVIRONMENTAL RESEARCH,      [PMID:40368042] [10.1016/j.envres.2025.121848]

5. He Li, Hao Yang, Shuai Sun, Zhen Wang, Jifan Bu, Jieying Liu, Weilong Xing, Lei Wang.  (2025)  Aerobic simulated biodegradation of novel brominated flame retardants: Systems and mechanisms.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.bej.2025.109808]