Chlorobenzone
TL;DR: Chlorobenzone (CAS 81-45-8) is a chemical compound with molecular formula C21H12ClNO3 and molecular weight 361.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide
Also Known As: Chlorobenzone, 1-Benzamido-4-chloroanthraquinone, 1Ba-4-Xa, 1BA-4-XA [Russian], 1-Chloro-4-benzoylaminoanthraquinone
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H12ClNO3 |
| Molecular Weight | 361.05057 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.05057 Da |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | FNCVZYRPXOZNSM-UHFFFAOYSA-N |
Product Description
Applications: Chlorobenzone is used in dye and pigment synthesis and coloration chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Chlorobenzone (CAS 81-45-8) is a dye and pigment intermediate with the molecular formula C21H12ClNO3 and a molecular weight of 361.05 g/mol. Synonyms include Chlorobenzone and 1-Benzamido-4-chloroanthraquinone.
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 Chlorobenzone
Property Insights of Chlorobenzone
The XLogP value of 4.9 indicates that Chlorobenzone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorobenzone. Following Lipinski's Rule of Five, Chlorobenzone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlorobenzone?
The CAS number of Chlorobenzone is 81-45-8.
What is the molecular formula of Chlorobenzone?
The molecular formula of Chlorobenzone is C21H12ClNO3.
What is the molecular weight of Chlorobenzone?
The molecular weight of Chlorobenzone is 361.05057 g/mol.
What are the applications of Chlorobenzone?
Chlorobenzone is used in dye and pigment synthesis and coloration chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Chlorobenzone?
You can request a quote for Chlorobenzone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorobenzone?
Yes, CoreyChem provides custom synthesis services for Chlorobenzone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.