4-Methylbenzoyl Chloride
TL;DR: 4-Methylbenzoyl Chloride (CAS 874-60-2) is a chemical compound with molecular formula C8H7ClO and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzoyl chloride
Also Known As: 4-Methylbenzoyl chloride, p-TOLUOYL CHLORIDE, p-Toluyl chloride, p-Methylbenzoyl chloride, 4-Toluoyl chloride
| Molecular Formula | C8H7ClO |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.01854 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 874-60-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)Cl |
| InChIKey | NQUVCRCCRXRJCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbenzoyl Chloride (CAS 874-60-2), with molecular formula C8H7ClO and molecular weight 154.02 g/mol. IUPAC: 4-methylbenzoyl chloride.
Chemical Property Profile of 4-Methylbenzoyl Chloride
Property Insights of 4-Methylbenzoyl Chloride
The XLogP value of 3.3 indicates that 4-Methylbenzoyl Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methylbenzoyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzoyl Chloride 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-Methylbenzoyl Chloride?
The CAS number of 4-Methylbenzoyl Chloride is 874-60-2.
What is the molecular formula of 4-Methylbenzoyl Chloride?
The molecular formula of 4-Methylbenzoyl Chloride is C8H7ClO.
What is the molecular weight of 4-Methylbenzoyl Chloride?
The molecular weight of 4-Methylbenzoyl Chloride is 154.02 g/mol.
Where can I buy 4-Methylbenzoyl Chloride?
You can request a quote for 4-Methylbenzoyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzoyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzoyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.