5-(chloromethyl)-2H-benzotriazole
TL;DR: 5-(chloromethyl)-2H-benzotriazole (CAS 153915-05-0) is a chemical compound with molecular formula C7H6ClN3 and molecular weight 167.02502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-2H-benzotriazole
Also Known As: 5-(chloromethyl)-2H-benzotriazole, 5-(Chloromethyl)-1H-benzotriazole, 5-chloromethyl-1,2,3-benzotriazole, 1H-Benzotriazole,5-(chloromethyl)-(9CI), 5-(CHLOROMETHYL)-1H-1,2,3-BENZOTRIAZOLE
Technical Specifications
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.02502 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.02502 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| SMILES | C1=CC2=NNN=C2C=C1CCl |
| InChIKey | LEWWLWBQKZETKB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(chloromethyl)-2H-benzotriazole
Property Insights of 5-(chloromethyl)-2H-benzotriazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(chloromethyl)-2H-benzotriazole. With a topological polar surface area (TPSA) of 41.6 Ų, 5-(chloromethyl)-2H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(chloromethyl)-2H-benzotriazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(chloromethyl)-2H-benzotriazole?
The CAS number of 5-(chloromethyl)-2H-benzotriazole is 153915-05-0.
What is the molecular formula of 5-(chloromethyl)-2H-benzotriazole?
The molecular formula of 5-(chloromethyl)-2H-benzotriazole is C7H6ClN3.
What is the molecular weight of 5-(chloromethyl)-2H-benzotriazole?
The molecular weight of 5-(chloromethyl)-2H-benzotriazole is 167.02502 g/mol.
Where can I buy 5-(chloromethyl)-2H-benzotriazole?
You can request a quote for 5-(chloromethyl)-2H-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(chloromethyl)-2H-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 5-(chloromethyl)-2H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.