3,9-Dibromoperylene - ≥97%(mixture of isomers) , CAS No.56752-35-3

CAS: 56752-35-3 Cat. No.: D589507 分子式: C₂₀H₁₀Br₂ 分子量: 410.10

GRADE & PURITY ≥97%(mixture of isomers)

Synonyms

FT-0730684 | SCHEMBL2679177 | SY226828 | YSWG107 | IPLAQSRFBRURHW-UHFFFAOYSA-N | 3,9-dibromoperylene | 3,9-dibromo-perylene | DTXSID20473914 | MFCD16658916 | 3,9-Dibromperylen | SB66480 | C20H10Br2 | AKOS022173910 | ?3,9-Dibromoperylene

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

同義語

FT-0730684 | SCHEMBL2679177 | SY226828 | YSWG107 | IPLAQSRFBRURHW-UHFFFAOYSA-N | 3,9-dibromoperylene | 3,9-dibromo-perylene | DTXSID20473914 | MFCD16658916 | 3,9-Dibromperylen | SB66480 | C20H10Br2 | AKOS022173910 | ?3,9-Dibromoperylene

仕様と純度

≥97%(mixture of isomers)

保管条件

Store at 2-8°C,Protected from light,Desiccated

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。

純度

≥97%(mixture of isomers)

名前と識別子

• パブケム・シド: 528758054
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528758054
• カノニカル・スマイル: C1=CC2=C3C(=C1)C(=CC=C3C4=C5C2=CC=C(C5=CC=C4)Br)Br
• IUPAC Name: 3,9-dibromoperylene
• InChIKey: IPLAQSRFBRURHW-UHFFFAOYSA-N
• INCHI: 1S/C20H10Br2/c21-17-9-8-14-12-4-2-6-16-18(22)10-7-13(20(12)16)11-3-1-5-15(17)19(11)14/h1-10H
• 異性体SMILES: C1=CC2=C3C(=C1)C(=CC=C3C4=C5C2=CC=C(C5=CC=C4)Br)Br
• 分子量: 410.10
• Reaxy-Rn: 1991523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1991523&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Anthracenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Anthracene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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: 410.100 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 409.913 Da
• Monoisotopic Mass: 407.915 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 395.000
• 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