3-Bromofluoranthene - ≥98% , CAS No.13438-50-1

CAS: 13438-50-1 Cat. No.: B152782 Summenformel: C₁₆H₉Br Molekulargewicht: 281.15 EG-Nummer: 808-043-4

GRADE & PURITY ≥98%

Synonyms

4-bromo-fluoranthene | AS-3074 | DTXSID90529497 | MFCD07787460 | SY047609 | AKOS015834689 | 3-Bromofluoranthene | 3-Bromo-fluoranthene | A19578 | SB66683 | SCHEMBL663504 | FT-0747057 | B4599 | Fluoranthene, 3-bromo- | WCXFCLXZMIFHBU-UHFFFAOYSA-N | AMY1517

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-bromo-fluoranthene | AS-3074 | DTXSID90529497 | MFCD07787460 | SY047609 | AKOS015834689 | 3-Bromofluoranthene | 3-Bromo-fluoranthene | A19578 | SB66683 | SCHEMBL663504 | FT-0747057 | B4599 | Fluoranthene, 3-bromo- | WCXFCLXZMIFHBU-UHFFFAOYSA-N | AMY1517

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488198377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198377
• Kanonisches Lächeln: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)Br
• IUPAC Name: 3-bromofluoranthene
• InChIKey: WCXFCLXZMIFHBU-UHFFFAOYSA-N
• INCHI: 1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
• Isomere SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)Br
• Molekulargewicht: 281.15
• Reaxy-Rn: 2266415
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2266415&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 207 °C/0.2 mmHg
• Schmelzpunkt (°C): 106.0 to 200.0 °C
• Molekulargewicht: 281.150 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 279.989 Da
• Monoisotopic Mass: 279.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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

Häufig gestellte Fragen

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

The CAS Number is 13438-50-1, the molecular formula is C16H9Br, and the molecular weight is 281.15 g/mol. InChIKey WCXFCLXZMIFHBU-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% 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 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.