BDE No 181 solution - 50 μg/mL in isooctane , CAS No.189084-67-1

CAS: 189084-67-1 Cat. No.: B354058 分子式: C₁₂H₃Br₇O 分子量: 722.48

グレード＆純度 50 μg/mL in isooctane

Synonyms

(E)-10-HYDROXY-2-DECENOICACID | J-012195 | 1,2,3,4,5-PENTABROMO-6-(2,4-DIBROMOPHENOXY)BENZENE | Q27257062 | 3D6D6DTP55 | 2,2',3,4,4',5,6-Heptabromodiphenyl ether | Benzene, 1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)- | DTXSID60583561 | PBDE 181 | UNII-3D

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

(E)-10-HYDROXY-2-DECENOICACID | J-012195 | 1,2,3,4,5-PENTABROMO-6-(2,4-DIBROMOPHENOXY)BENZENE | Q27257062 | 3D6D6DTP55 | 2,2',3,4,4',5,6-Heptabromodiphenyl ether | Benzene, 1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)- | DTXSID60583561 | PBDE 181 | UNII-3D

仕様と純度

50 μg/mL in isooctane

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

カノニカル・スマイル

C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

IUPAC Name

1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)benzene

InChIKey

GVNRIAPLVGNZPL-UHFFFAOYSA-N

INCHI

1S/C12H3Br7O/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H

異性体SMILES

C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

分子量

722.48

Reaxy-Rn

8436585

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8436585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromodiphenyl ethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
• 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

化学的性質と物理的性質

• 分子量: 722.500 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 721.441 Da
• Monoisotopic Mass: 715.447 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 315.000
• 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