4-Chlorobenzaldehyde
TL;DR: 4-Chlorobenzaldehyde (CAS 104-88-1) is a chemical compound with molecular formula C7H5ClO and molecular weight 140.0029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobenzaldehyde
Also Known As: 4-Chlorobenzaldehyde, P-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-, Benzaldehyde, p-chloro-, p-Chlorobenzenecarboxaldehyde
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5ClO |
| Molecular Weight | 140.0029 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.0029 Da |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
| Melting Point | 111 to 117 °F (NTP, 1992) |
| Boiling Point | 415 to 417 °F at 760 mmHg (NTP, 1992) |
| Density | 1.196 at 142 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 190 °F (NTP, 1992) |
| Vapor Pressure | 0.18 [mmHg] |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1C=O)Cl |
| InChIKey | AVPYQKSLYISFPO-UHFFFAOYSA-N |
Product Description
Applications: 4-Chlorobenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chlorobenzaldehyde (CAS 104-88-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 4-Chlorobenzaldehyde (CAS 104-88-1) has the molecular formula C7H5ClO and a molecular weight of 140 g/mol. Reported properties include a density of 1.196 at 142 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 67.1 °F (NTP, 1992). It is also known as 4-Chlorobenzaldehyde and P-CHLOROBENZALDEHYDE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Chlorobenzaldehyde
Property Insights of 4-Chlorobenzaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chlorobenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzaldehyde 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
What is the CAS number of 4-Chlorobenzaldehyde?
The CAS number of 4-Chlorobenzaldehyde is 104-88-1.
What is the molecular formula of 4-Chlorobenzaldehyde?
The molecular formula of 4-Chlorobenzaldehyde is C7H5ClO.
What is the molecular weight of 4-Chlorobenzaldehyde?
The molecular weight of 4-Chlorobenzaldehyde is 140.0029 g/mol.
What are the applications of 4-Chlorobenzaldehyde?
4-Chlorobenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chlorobenzaldehyde (CAS...
Where can I buy 4-Chlorobenzaldehyde?
You can request a quote for 4-Chlorobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-Chlorobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.