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

CAS: 56752-35-3 Cat. No.: D589507 분자식: C₂₀H₁₀Br₂ 분자량: 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

동의어

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

사양 및 순도

≥97%(mixture of isomers)

보관 조건

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

배송

Wet ice

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순수함

≥97%(mixture of isomers)

이름과 식별자

• Pubchem Sid: 528758054
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528758054
• 정식 스마일: 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
• 이성체 SMILES: C1=CC2=C3C(=C1)C(=CC=C3C4=C5C2=CC=C(C5=CC=C4)Br)Br
• 분자량: 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
    • 분류 Phenanthrenes and derivatives

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

화학 및 물리적 특성

• 분자량: 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