2-氯苯酚
TL;DR: 2-氯苯酚 (CAS 95-57-8) is a chemical compound with molecular formula C6H5ClO and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯苯酚
2-chlorophenol
Also Known As: 2-CHLOROPHENOL, o-Chlorophenol, o-Chlorphenol, Phenol, 2-chloro-, 2-Hydroxychlorobenzene
| Molecular Formula | C6H5ClO |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.0029 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Melting Point | 9.0 °C |
| Boiling Point | 347 to 176.1 °C at 760 mmHg |
| Density | 1.25 at 25.0 °C |
| Solubility | 10 to 50 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | 63.9 °C |
| Vapor Pressure | 1 mmHg at 12.1 °C ; 2.2 mmHg at 20.0 °C |
| Refractive Index | 1.5524 @ 20 °C |
Chemical Identifiers
| CAS Number | 95-57-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)O)Cl |
| InChIKey | ISPYQTSUDJAMAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯苯酚 (CAS 95-57-8), with molecular formula C6H5ClO and molecular weight 128.00 g/mol. IUPAC: 2-chlorophenol.
Chemical Property Profile of 2-氯苯酚
Property Insights of 2-氯苯酚
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 2-氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯苯酚 has 1 hydrogen bond donor(s) and 1 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-氯苯酚?
The CAS number of 2-氯苯酚 is 95-57-8.
What is the molecular formula of 2-氯苯酚?
The molecular formula of 2-氯苯酚 is C6H5ClO.
What is the molecular weight of 2-氯苯酚?
The molecular weight of 2-氯苯酚 is 128.00 g/mol.
Where can I buy 2-氯苯酚?
You can request a quote for 2-氯苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2-氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.