| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM2170390-2 |
| Product Name | 2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol |
| CAS | 2170-39-0 |
| Structure |  |
| Synonyms | 2-(3-Allyl-2-hydroxy-5-methylphenyl)-2H-benzotriazole, 2-Allyl-6-(2H-benzotriazol-2-yl)-p-cresol |
| IUPAC Name | 2-(Benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol |
| Molecular Weight | 265.31 |
| Molecular Formula | C16H15N3O |
| Canonical SMILES | Cc1cc(CC=C)c(O)c(c1)-n2nc3ccccc3n2 |
| InChI | 1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3 |
| InChIKey | YKONWVIRECCMQE-UHFFFAOYSA-N |
| Boiling Point | 450.6±55.0 °C |
| Melting Point | 98-101 °C (lit.) |
| Purity | 98%+ |
| Density | 1.3 g/mL at 25 °C (lit.) |
| Application | Covalently bondable UV light stabilizer. |
| Complexity | 335 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.12151211 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 265.12151211 |
| Physical State | Solid |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.9 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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