9-Bromophenanthrene - ≥98% , CAS No.573-17-1

CAS: 573-17-1 Cat. No.: B120351 Formula: C₁₄H₉Br Molecular Weight: 257.13 Beilstein Registry Number: 1869927 EC Number: 209-351-6

GRADE & PURITY ≥98%

Synonyms

AC-1653 | EN300-243226 | 9-bromophenathrene | MFCD00001174 | UNII-N4XAW27Z35 | NSC 400708 | 9-Bromphenanthren | FT-0621632 | EINECS 209-351-6 | SCHEMBL184768 | 9-bromanylphenanthrene | OL10156 | 9-Bromophenanthrene | 9-Bromo-phenanthrene | SB66961 | 9-Phe

Storage

Room temperature

Shipped In

Normal

Overview

9-Bromophenanthrene is used as halogenated building block. Isotope labelled 9-Bromophenanthrene, a halogenated polycyclic aromatic hydrocarbon that has been seen to have a room temperature phosphorescence that can be induced by β-cyclodextrin (β-CD) in the presence of cyclohexane; however, trace Fe(III) causes a decrease of the RTP emission.

Specifications

Synonyms

AC-1653 | EN300-243226 | 9-bromophenathrene | MFCD00001174 | UNII-N4XAW27Z35 | NSC 400708 | 9-Bromphenanthren | FT-0621632 | EINECS 209-351-6 | SCHEMBL184768 | 9-bromanylphenanthrene | OL10156 | 9-Bromophenanthrene | 9-Bromo-phenanthrene | SB66961 | 9-Phe

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488181304

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181304

Canonical Smiles

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br

IUPAC Name

9-bromophenanthrene

InChIKey

RSQXKVWKJVUZDG-UHFFFAOYSA-N

INCHI

1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br

WGK Germany

3

RTECS

SF7197000

Molecular Weight

257.13

Beilstein

1869927

Reaxy-Rn

1869927

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869927&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 toluene, and chloroform (50 mg/ml).
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 180-190 ºC (2 mmHg)
• Melt Point(°C): 60-65 ºC
• 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?

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 573-17-1, the molecular formula is C14H9Br, and the molecular weight is 257.13 g/mol. InChIKey RSQXKVWKJVUZDG-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.