2-苄基-4-氯苯酚
TL;DR: 2-苄基-4-氯苯酚 (CAS 120-32-1) is a chemical compound with molecular formula C13H11ClO and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苄基-4-氯苯酚
2-benzyl-4-chlorophenol
Also Known As: 2-Benzyl-4-chlorophenol, Clorophene, Clorofene, Chlorophene, Neosabenyl
| Molecular Formula | C13H11ClO |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04984 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
| Melting Point | 48.5 °C |
| Boiling Point | 320 to 162.2 °C at 3.5 mmHg |
| Density | 1.22 |
| Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
| Flash Point | 187.8 °C |
| Vapor Pressure | 0.1 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 120-32-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O |
| InChIKey | NCKMMSIFQUPKCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苄基-4-氯苯酚 (CAS 120-32-1), with molecular formula C13H11ClO and molecular weight 218.05 g/mol. IUPAC: 2-benzyl-4-chlorophenol.
Chemical Property Profile of 2-苄基-4-氯苯酚
Property Insights of 2-苄基-4-氯苯酚
The XLogP value of 4.0 indicates that 2-苄基-4-氯苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-苄基-4-氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苄基-4-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-苄基-4-氯苯酚?
The CAS number of 2-苄基-4-氯苯酚 is 120-32-1.
What is the molecular formula of 2-苄基-4-氯苯酚?
The molecular formula of 2-苄基-4-氯苯酚 is C13H11ClO.
What is the molecular weight of 2-苄基-4-氯苯酚?
The molecular weight of 2-苄基-4-氯苯酚 is 218.05 g/mol.
Where can I buy 2-苄基-4-氯苯酚?
You can request a quote for 2-苄基-4-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-苄基-4-氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2-苄基-4-氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.