3-Bromophenanthrene - ≥98%(GC) , CAS No.715-50-4

CAS: 715-50-4 Cat. No.: B124368 Formula: C₁₄H₉Br Molecular Weight: 257.13 EC Number: 695-586-3

GRADE & PURITY ≥98%(GC)

Synonyms

AS-47786 | BNGNNFQSUWVWCW-UHFFFAOYSA-N | B2387 | F9995-1259 | MFCD06797074 | J-512121 | NCIOpen2_005492 | AKOS015835897 | InChI=1/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H | Phenanthrene, 3-Bromo- | F16147 | A837241 | FT-0632867 | BCP089

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-47786 | BNGNNFQSUWVWCW-UHFFFAOYSA-N | B2387 | F9995-1259 | MFCD06797074 | J-512121 | NCIOpen2_005492 | AKOS015835897 | InChI=1/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H | Phenanthrene, 3-Bromo- | F16147 | A837241 | FT-0632867 | BCP089

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504756338
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756338
• Canonical Smiles: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Br
• IUPAC Name: 3-bromophenanthrene
• InChIKey: BNGNNFQSUWVWCW-UHFFFAOYSA-N
• INCHI: 1S/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Br
• WGK Germany: 3
• Molecular Weight: 257.13
• Reaxy-Rn: 1949481
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1949481&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - 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 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 81-86°C
• Molecular Weight: 257.120 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 255.989 Da
• Monoisotopic Mass: 255.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 715-50-4, the molecular formula is C14H9Br, and the molecular weight is 257.13 g/mol. InChIKey BNGNNFQSUWVWCW-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.