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

CAS: 189084-67-1 Cat. No.: B354058 분자식: C₁₂H₃Br₇O 분자량: 722.48

등급 & 순도 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

사양

동의어

(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

사양 및 순도

50 μg/mL in isooctane

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

이름과 식별자

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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