Phenanthrene
TL;DR: Phenanthrene (CAS 85-01-8) is a chemical compound with molecular formula C14H10 and molecular weight 178.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenanthrene
Also Known As: PHENANTHRENE, Phenanthren, Phenanthracene, Phenanthrin, Ravatite
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H10 |
| Molecular Weight | 178.07825 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.07825 Da |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| Melting Point | 212 °F (NTP, 1992) |
| Boiling Point | 642 °F at 760 mmHg (NTP, 1992) |
| Density | 1.025 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 340 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Max absorption (heptane): 187.5 nm (log e = 4.48); 211.5 nm (log e= 4.57); Index of refraction: 1.59427; sadtler reference number: 810 (IR, prism); 8035 (IR, grating) |
| Solubility | less than 1 mg/mL at 79 °F (NTP, 1992) |
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C32 |
| InChIKey | YNPNZTXNASCQKK-UHFFFAOYSA-N |
Product Description
Applications: Phenanthrene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Phenanthrene (CAS 85-01-8) is a pharmaceutical intermediate with the molecular formula C14H10 and a molecular weight of 178.08 g/mol. Key physical properties include a density of 1.025 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 79 °F (NTP, 1992). Synonyms include PHENANTHRENE and Phenanthren.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phenanthrene
Property Insights of Phenanthrene
The XLogP value of 4.5 indicates that Phenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Phenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenanthrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenanthrene?
The CAS number of Phenanthrene is 85-01-8.
What is the molecular formula of Phenanthrene?
The molecular formula of Phenanthrene is C14H10.
What is the molecular weight of Phenanthrene?
The molecular weight of Phenanthrene is 178.07825 g/mol.
What are the applications of Phenanthrene?
Phenanthrene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Phenanthrene?
You can request a quote for Phenanthrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenanthrene?
Yes, CoreyChem provides custom synthesis services for Phenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.