4-氯苯甲醛
TL;DR: 4-氯苯甲醛 (CAS 104-88-1) is a chemical compound with molecular formula C7H5ClO and molecular weight 140.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯甲醛
4-chlorobenzaldehyde
Also Known As: 4-Chlorobenzaldehyde, P-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-, Benzaldehyde, p-chloro-, p-Chlorobenzenecarboxaldehyde
| Molecular Formula | C7H5ClO |
|---|---|
| Molecular Weight | 140.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.0029 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
| Melting Point | 111 to 47.2 °C |
| Boiling Point | 415 to 213.9 °C at 760 mmHg |
| Density | 1.196 at 61.1 °C |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| Flash Point | 87.8 °C |
| Vapor Pressure | 0.18 [mmHg] |
Chemical Identifiers
| CAS Number | 104-88-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)Cl |
| InChIKey | AVPYQKSLYISFPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯甲醛 (CAS 104-88-1), with molecular formula C7H5ClO and molecular weight 140.00 g/mol. IUPAC: 4-chlorobenzaldehyde.
Chemical Property Profile of 4-氯苯甲醛
Property Insights of 4-氯苯甲醛
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 4-氯苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯甲醛 has 0 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-氯苯甲醛?
The CAS number of 4-氯苯甲醛 is 104-88-1.
What is the molecular formula of 4-氯苯甲醛?
The molecular formula of 4-氯苯甲醛 is C7H5ClO.
What is the molecular weight of 4-氯苯甲醛?
The molecular weight of 4-氯苯甲醛 is 140.00 g/mol.
Where can I buy 4-氯苯甲醛?
You can request a quote for 4-氯苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.