2-Ethyl-phenanthrene - ≥95% , CAS No.3674-74-6

CAS: 3674-74-6 Cat. No.: E169942 Formula: C₁₆H₁₄ Molecular Weight: 206.28 EC Number: 684-435-7

GRADE & PURITY ≥95%

Synonyms

AKOS005145538 | DTXSID30190201 | 2-ETHYLPHENANTHRENE | 2-Ethyl-phenanthrene | FT-0655739 | Phenanthrene, 2-ethyl- | A823355 | E77678 | J-509332 | UMAHMIHRNVICDZ-UHFFFAOYSA-N | AS-82745

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS005145538 | DTXSID30190201 | 2-ETHYLPHENANTHRENE | 2-Ethyl-phenanthrene | FT-0655739 | Phenanthrene, 2-ethyl- | A823355 | E77678 | J-509332 | UMAHMIHRNVICDZ-UHFFFAOYSA-N | AS-82745

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCC1=CC2=C(C=C1)C3=CC=CC=C3C=C2
• IUPAC Name: 2-ethylphenanthrene
• InChIKey: UMAHMIHRNVICDZ-UHFFFAOYSA-N
• INCHI: 1S/C16H14/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h3-11H,2H2,1H3
• Isomeric SMILES: CCC1=CC2=C(C=C1)C3=CC=CC=C3C=C2
• Molecular Weight: 206.28
• Reaxy-Rn: 2245899
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2245899&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 Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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

• Molecular Weight: 206.280 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 206.11 Da
• Monoisotopic Mass: 206.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 232.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 3674-74-6, the molecular formula is C16H14, and the molecular weight is 206.28 g/mol. InChIKey UMAHMIHRNVICDZ-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.