1H-Benzotriazole
TL;DR: 1H-Benzotriazole (CAS 95-14-7) is a chemical compound with molecular formula C6H5N3 and molecular weight 119.04835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2H-benzotriazole
Also Known As: 1H-Benzotriazole, Benzotriazole, 2H-Benzotriazole, Azimidobenzene, Benzisotriazole
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.04835 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.04835 Da |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
| Melting Point | 208 to 212 °F (NTP, 1992) |
| Boiling Point | 399 °F at 15 mmHg (NTP, 1992) |
| Density | 1.36 g/cu cm at 20 °C |
| Flash Point | 170 °C (338 °F) - closed cup |
| Vapor Pressure | Vapor pressure: <0.01 kPa at 25 °C |
| Solubility | 1 to 5 mg/mL at 74.7 °F (NTP, 1992) |
| SMILES | C1=CC2=NNN=C2C=C1 |
| InChIKey | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
Product Description
Applications: 1H-Benzotriazole is used in imaging, photographic, and photosensitive formulations, as well as polymer chemistry and functional materials synthesis. 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).
1H-Benzotriazole (CAS 95-14-7) is a photographic chemical with the molecular formula C6H5N3 and a molecular weight of 119.05 g/mol. Key physical properties include a density of 1.36 g/cu cm at 20 °C g/cm³, a solubility: 1 to 5 mg/mL at 74.7 °F (NTP, 1992). Synonyms include 1H-Benzotriazole and Benzotriazole.
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 1H-Benzotriazole
Property Insights of 1H-Benzotriazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-Benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1H-Benzotriazole?
The CAS number of 1H-Benzotriazole is 95-14-7.
What is the molecular formula of 1H-Benzotriazole?
The molecular formula of 1H-Benzotriazole is C6H5N3.
What is the molecular weight of 1H-Benzotriazole?
The molecular weight of 1H-Benzotriazole is 119.04835 g/mol.
What are the applications of 1H-Benzotriazole?
1H-Benzotriazole is used in imaging, photographic, and photosensitive formulations, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy 1H-Benzotriazole?
You can request a quote for 1H-Benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1H-Benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.