4-氯-3-甲基苯酚
TL;DR: 4-氯-3-甲基苯酚 (CAS 59-50-7) is a chemical compound with molecular formula C7H7ClO and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-3-甲基苯酚
4-chloro-3-methylphenol
Also Known As: 4-Chloro-3-methylphenol, Chlorocresol, 4-Chloro-m-cresol, Ottafact, Baktol
| Molecular Formula | C7H7ClO |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.01854 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| Melting Point | 66.1 °C |
| Boiling Point | 235.0 °C at 760 mmHg |
| Density | 0.9 at 25.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 110.0 °C |
| Vapor Pressure | 0.05 [mmHg] |
Chemical Identifiers
| CAS Number | 59-50-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)Cl |
| InChIKey | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3-甲基苯酚 (CAS 59-50-7), with molecular formula C7H7ClO and molecular weight 142.02 g/mol. IUPAC: 4-chloro-3-methylphenol.
Chemical Property Profile of 4-氯-3-甲基苯酚
Property Insights of 4-氯-3-甲基苯酚
The XLogP value of 3.1 indicates that 4-氯-3-甲基苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-氯-3-甲基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-3-甲基苯酚 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 4-氯-3-甲基苯酚?
The CAS number of 4-氯-3-甲基苯酚 is 59-50-7.
What is the molecular formula of 4-氯-3-甲基苯酚?
The molecular formula of 4-氯-3-甲基苯酚 is C7H7ClO.
What is the molecular weight of 4-氯-3-甲基苯酚?
The molecular weight of 4-氯-3-甲基苯酚 is 142.02 g/mol.
Where can I buy 4-氯-3-甲基苯酚?
You can request a quote for 4-氯-3-甲基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-3-甲基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3-甲基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.