1-Chloro-3-ethynylbenzene
TL;DR: 1-Chloro-3-ethynylbenzene (CAS 766-83-6) is a chemical compound with molecular formula C8H5Cl and molecular weight 136.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-ethynylbenzene
Also Known As: 1-Chloro-3-ethynylbenzene, 3-Chlorophenylacetylene, 3-Chlorophenyl acetylene, 3-Chloro-1-ethynylbenzene, 3'-CHLOROPHENYL ACETYLENE
| Molecular Formula | C8H5Cl |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.00798 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 766-83-6 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)Cl |
| InChIKey | GRBJPHPMYOUMJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-ethynylbenzene (CAS 766-83-6), with molecular formula C8H5Cl and molecular weight 136.01 g/mol. IUPAC: 1-chloro-3-ethynylbenzene.
Chemical Property Profile of 1-Chloro-3-ethynylbenzene
Property Insights of 1-Chloro-3-ethynylbenzene
The XLogP value of 3.2 indicates that 1-Chloro-3-ethynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-3-ethynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-ethynylbenzene 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 1-Chloro-3-ethynylbenzene?
The CAS number of 1-Chloro-3-ethynylbenzene is 766-83-6.
What is the molecular formula of 1-Chloro-3-ethynylbenzene?
The molecular formula of 1-Chloro-3-ethynylbenzene is C8H5Cl.
What is the molecular weight of 1-Chloro-3-ethynylbenzene?
The molecular weight of 1-Chloro-3-ethynylbenzene is 136.01 g/mol.
Where can I buy 1-Chloro-3-ethynylbenzene?
You can request a quote for 1-Chloro-3-ethynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-ethynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-ethynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.