2-Chloro-1,4-benzoquinone
TL;DR: 2-Chloro-1,4-benzoquinone (CAS 695-99-8) is a chemical compound with molecular formula C6H3ClO2 and molecular weight 141.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorocyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Chloro-1,4-benzoquinone, Chloroquinone, 2-chlorocyclohexa-2,5-diene-1,4-dione, Monochloroquinone, 2-Chloroquinone
| Molecular Formula | C6H3ClO2 |
|---|---|
| Molecular Weight | 141.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.98216 |
| Heavy Atoms | 9 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 695-99-8 |
|---|---|
| SMILES | C1=CC(=O)C(=CC1=O)Cl |
| InChIKey | WOGWYSWDBYCVDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1,4-benzoquinone (CAS 695-99-8), with molecular formula C6H3ClO2 and molecular weight 141.98 g/mol. IUPAC: 2-chlorocyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Chloro-1,4-benzoquinone
Property Insights of 2-Chloro-1,4-benzoquinone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1,4-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Chloro-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,4-benzoquinone has 0 hydrogen bond donor(s) and 2 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 2-Chloro-1,4-benzoquinone?
The CAS number of 2-Chloro-1,4-benzoquinone is 695-99-8.
What is the molecular formula of 2-Chloro-1,4-benzoquinone?
The molecular formula of 2-Chloro-1,4-benzoquinone is C6H3ClO2.
What is the molecular weight of 2-Chloro-1,4-benzoquinone?
The molecular weight of 2-Chloro-1,4-benzoquinone is 141.98 g/mol.
Where can I buy 2-Chloro-1,4-benzoquinone?
You can request a quote for 2-Chloro-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.