Decabromodiphenyl ether - ≥98% , CAS No.1163-19-5

CAS: 1163-19-5 Cat. No.: D106569 Peso molecular: 959.17 Beilstein Registry Number: 2188438 Número EC: 214-604-9 PubChem CID: 14410

GRADE & PURITY ≥98%

Synonyms

2,2',3,3',4,4',5,5',6,6'-decabromobiphenyl ether | Decabromodiphenyl ether (DBDPE) | Thermoguard 505 | CHEBI:82436 | DS-6350 | EINECS 214-604-9 | Perbromodiphenyl Ether | Planelon DB 100 | SCHEMBL33901 | Caliban F/R-P 39P | NCGC00357196-01 | UNII-N80BQ29A

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2, 2', 3, 3', 4, 4', 5, 5', 6, 6'-decabromobiphenyl ether | Decabromodiphenyl ether (DBDPE) | Thermoguard 505 | CHEBI:82436 | DS-6350 | EINECS 214-604-9 | Perbromodiphenyl Ether | Planelon DB 100 | SCHEMBL33901 | Caliban F/R-P 39P | NCGC00357196-01 | UNII-N80BQ29A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• IUPAC Name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene
• InChIKey: WHHGLZMJPXIBIX-UHFFFAOYSA-N
• INCHI: 1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
• Isómeros SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• WGK Alemania: 1
• RTECS: KN3525000
• PubChem CID: 14410
• Peso molecular: 959.17
• Beilstein: 2188438
• Reaxy-Rn: 2188438

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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: organobromine compound - aromatic ether

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 425°C
• Punto de fusión (°C): 304-309°C
• Peso molecular: 959.200 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 959.168 Da
• Monoisotopic Mass: 949.178 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 345.000
• 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

Referencias

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