Benzene, 1-chloro-4-ethynyl-
TL;DR: Benzene, 1-chloro-4-ethynyl- (CAS 873-73-4) 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-4-ethynylbenzene
Also Known As: 1-Chloro-4-ethynylbenzene, 4-chlorophenylacetylene, (4-Chlorophenyl)acetylene, Benzene, 1-chloro-4-ethynyl-, 4'-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 | 123.0 |
Chemical Identifiers
| CAS Number | 873-73-4 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)Cl |
| InChIKey | LFZJRTMTKGYJRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-4-ethynyl- (CAS 873-73-4), with molecular formula C8H5Cl and molecular weight 136.01 g/mol. IUPAC: 1-chloro-4-ethynylbenzene.
Chemical Property Profile of Benzene, 1-chloro-4-ethynyl-
Property Insights of Benzene, 1-chloro-4-ethynyl-
The XLogP value of 3.2 indicates that Benzene, 1-chloro-4-ethynyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-chloro-4-ethynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-ethynyl- 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 Benzene, 1-chloro-4-ethynyl-?
The CAS number of Benzene, 1-chloro-4-ethynyl- is 873-73-4.
What is the molecular formula of Benzene, 1-chloro-4-ethynyl-?
The molecular formula of Benzene, 1-chloro-4-ethynyl- is C8H5Cl.
What is the molecular weight of Benzene, 1-chloro-4-ethynyl-?
The molecular weight of Benzene, 1-chloro-4-ethynyl- is 136.01 g/mol.
Where can I buy Benzene, 1-chloro-4-ethynyl-?
You can request a quote for Benzene, 1-chloro-4-ethynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-ethynyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-ethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.