5-Methyl-1H-benzotriazole
TL;DR: 5-Methyl-1H-benzotriazole (CAS 136-85-6) is a chemical compound with molecular formula C7H7N3 and molecular weight 133.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2H-benzotriazole
Also Known As: 5-Methyl-1H-benzotriazole, 5-Methylbenzotriazole, Tolutriazole, 5-Tolyltriazole, Tolyltriazole
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7N3 |
| Molecular Weight | 133.064 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.064 Da |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| SMILES | CC1=CC2=NNN=C2C=C1 |
| InChIKey | LRUDIIUSNGCQKF-UHFFFAOYSA-N |
Product Description
Applications: 5-Methyl-1H-benzotriazole is used in imaging, photographic, and photosensitive formulations, 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).
5-Methyl-1H-benzotriazole is a photographic chemical identified by CAS number 136-85-6 and the molecular formula C7H7N3 and a molecular weight of 133.06 g/mol. Synonyms include 5-Methyl-1H-benzotriazole and 5-Methylbenzotriazole.
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 5-Methyl-1H-benzotriazole
Property Insights of 5-Methyl-1H-benzotriazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1H-benzotriazole. With a topological polar surface area (TPSA) of 41.6 Ų, 5-Methyl-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1H-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-Methyl-1H-benzotriazole?
The CAS number of 5-Methyl-1H-benzotriazole is 136-85-6.
What is the molecular formula of 5-Methyl-1H-benzotriazole?
The molecular formula of 5-Methyl-1H-benzotriazole is C7H7N3.
What is the molecular weight of 5-Methyl-1H-benzotriazole?
The molecular weight of 5-Methyl-1H-benzotriazole is 133.064 g/mol.
What are the applications of 5-Methyl-1H-benzotriazole?
5-Methyl-1H-benzotriazole is used in imaging, photographic, and photosensitive formulations, 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...
Where can I buy 5-Methyl-1H-benzotriazole?
You can request a quote for 5-Methyl-1H-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-1H-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.