6,12-Dibromochrysene - ≥99% , CAS No.131222-99-6

CAS: 131222-99-6 Cat. No.: D123404 Fórmula: C₁₈H₁₀Br₂ Peso molecular: 386.088 Número EC: 659-680-8

GRADE & PURITY ≥99%

Synonyms

AKOS015917385 | SCHEMBL349252 | FT-0733945 | Chrysene, 6,12-dibromo- | DTXSID20391063 | 6,12-bis(bromanyl)chrysene | YSWG735 | SY055303 | MFCD00092281 | DS-18179 | A806224 | AMY42312 | 6,12-dibromochrysene | SB66550 | 6,12-Dibromochryscene | D4236

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015917385 | SCHEMBL349252 | FT-0733945 | Chrysene, 6,12-dibromo- | DTXSID20391063 | 6,12-bis(bromanyl)chrysene | YSWG735 | SY055303 | MFCD00092281 | DS-18179 | A806224 | AMY42312 | 6,12-dibromochrysene | SB66550 | 6,12-Dibromochryscene | D4236

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504762524

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762524

Sonrisas canónicas

C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)Br)Br

IUPAC Name

6,12-dibromochrysene

InChIKey

RULVBMDEPWAFIN-UHFFFAOYSA-N

INCHI

1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H

Isómeros SMILES

C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)Br)Br

Peso molecular

386.088

Reaxy-Rn

3333529

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3333529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives
      • Subclass Chrysenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Chrysenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chrysenes
• Alternative Parents: Naphthalenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chrysene - Naphthalene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 284 °C
• Peso molecular: 386.100 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 385.913 Da
• Monoisotopic Mass: 383.915 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 321.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 131222-99-6, the molecular formula is C18H10Br2, and the molecular weight is 386.088 g/mol. InChIKey RULVBMDEPWAFIN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.