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

CAS: 13438-50-1 Cat. No.: B152782 Formule: C₁₆H₉Br Poids moléculaire: 281.15 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488198377

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198377

Sourires canoniques

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

Isomères SMILES

C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)Br

Poids moléculaire

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
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 207 °C/0.2 mmHg
• Point de fusion (°C): 106.0 to 200.0 °C
• Poids moléculaire: 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

Foire aux questions

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.