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

CAS: 189084-67-1 Cat. No.: B354058 Formule: C₁₂H₃Br₇O Poids moléculaire: 722.48

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

(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

Spécifications et pureté

50 μg/mL in isooctane

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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