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Molecule
Drometrizole
CAS: 2440-22-4 · C13H11N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2440-22-4
- Molecular Formula
- C13H11N3O
- Molecular Mass
- 225.25 g/mol
Identifiers
CAS Registry Number
2440-22-4
SMILES
Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChI Key
MCPKSFINULVDNX-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
Names and Synonyms
- Drometrizole Synonym
- Uvinul 3033P Synonym
- Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- Synonym
- p-Cresol, 2-(2H-benzotriazol-2-yl)- Synonym
- 2-(2H-Benzotriazol-2-yl)-4-methylphenol Synonym
- 2-(2-Hydroxy-5-methylphenyl)benzotriazole Synonym
- Tinuvin P Synonym
- 2-(2′-Hydroxy-5′-methylphenyl)benzotriazole Synonym
- Benazol P Synonym
- 2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole Synonym
- UV Absorber 1 Synonym
- 2-(2H-Benzotriazol-2-yl)-p-cresol Synonym
- Drometrizole Synonym
- Seikalizer AZ Synonym
- Benazol II Synonym
- Sumisorb 200 Synonym
- Mark LA 32 Synonym
- 2-Benzotriazol-2-yl-4-methylphenol Synonym
- 2-(5-Methyl-2-hydroxyphenyl)benzotriazole Synonym
- Viosorb 520 Synonym
- UVA-P Synonym
- ADK Stab LA 32 Synonym
- LA 32 Synonym
- Seesorb 701 Synonym
- JF 77 Synonym
- ADK-ARKLS DN 13 Synonym
- 2-(5′-Methyl-2′-hydroxyphenyl)benzotriazole Synonym
- NSC 91885 Synonym
- Uvasorb SV Synonym
- Lowilite 55 Synonym
- Eversorb 71 Synonym
- JF 77P Synonym
- BT 1 (light stabilizer) Synonym
- BT 1 Synonym
- UV-P Synonym
- Kemisorb 71 Synonym
- UV-P (UV stabilizer) Synonym
- Dainsorb T 1 Synonym
- JF 77T Synonym
- 2-(2-Hydroxy-5-methyl)benzotriazole Synonym
- JCK-W-UA Synonym
- 4-Methyl-2-(2H-benzotriazol-2-yl)phenol Synonym
- Tinuvin UV-P Synonym
- Solartex UVP Synonym
- Chisorb P Synonym
- Tinuvin PED Synonym
- UV 71 Synonym
- Songsorb 1000 Synonym
- 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.25 g/mol | CAS Common Chemistry |
| 225.25100000000003 g/mol | RDKit | |
| 225.251 g/mol | RDKit | |
| 226.259 g/mol | chempirical lib | |
| Canonical SMILES | OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MCPKSFINULVDNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-133 °C | CAS Common Chemistry |
| Name | Drometrizole | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 2.43452 | RDKit |
| 2.4345 | RDKit | |
| Molar Refractivity | 65.26680000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 225.090211972 g/mol | RDKit |
| Boiling Point | 225 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Safety
Found in products
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MW = 225.25 g/mol. Edit any field — others recompute live.
