苯乙炔
TL;DR: 苯乙炔 (CAS 536-74-3) is a chemical compound with molecular formula C8H6 and molecular weight 102.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙炔
ethynylbenzene
Also Known As: Ethynylbenzene, PHENYLACETYLENE, Phenylethyne, ethynyl-benzene, Benzene, ethynyl-
| Molecular Formula | C8H6 |
|---|---|
| Molecular Weight | 102.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.04695 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
| Melting Point | -45 °C |
| Boiling Point | 142 °C @760 [mm Hg] |
| Density | 0.94 @25 °C |
| Vapor Pressure | 2.06 [mmHg] |
Chemical Identifiers
| CAS Number | 536-74-3 |
|---|---|
| SMILES | C#CC1=CC=CC=C1 |
| InChIKey | UEXCJVNBTNXOEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙炔 (CAS 536-74-3), with molecular formula C8H6 and molecular weight 102.05 g/mol. IUPAC: ethynylbenzene.
Chemical Property Profile of 苯乙炔
Property Insights of 苯乙炔
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙炔. With a topological polar surface area (TPSA) of 0.0 Ų, 苯乙炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙炔 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
Frequently Asked Questions
What is the CAS number of 苯乙炔?
The CAS number of 苯乙炔 is 536-74-3.
What is the molecular formula of 苯乙炔?
The molecular formula of 苯乙炔 is C8H6.
What is the molecular weight of 苯乙炔?
The molecular weight of 苯乙炔 is 102.05 g/mol.
Where can I buy 苯乙炔?
You can request a quote for 苯乙炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙炔?
Yes, KEHONG BIO provides custom synthesis services for 苯乙炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.