HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(2H-Benzotriazol-2-yl)-p-kresol
UV-P · TINUVIN P · 2-(2-HYDROXY-5-METHYLPHENYL)BENZOTRIAZOLE · UV-71 · 2-(2H-BENZOTRIAZOL-2-YL)-P-CRESOL · 2-(2H-BENZOTRIAZOL-2-YL)-4-METHYLPHENOL · 2-(2H-1,2,3-Benzotriazol-2-yl)-4-methylphenol · Benazol P
Identifikatoren & physikalische Daten
| CAS No. | 2440-22-4 |
|---|---|
| Summenformel | C13H11N3O |
| Durchschnittliche Molmasse | 225,25 g/mol |
| Monoisotopische Masse | 225,09021198 g/mol |
| SMILES | Cc1ccc(O)c(-n2nc3ccccc3n2)c1 |
| InChIKey | MCPKSFINULVDNX-UHFFFAOYSA-N |
| PubChem CID | 17113 |
| ChEMBL | CHEMBL1564747 |
| ChEBI | CHEBI:134926 |
| EC No. | 219-470-5 |
| DTXSID | DTXSID1027479 |
| Lokaler Name | 2-(2H-Benzotriazol-2-yl)-p-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 259 |
| Physical Description | Dry PowderOther SolidLarge Crystals |
| Collision Cross Section | 155.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1027479] |
| Schmelzpunkt | 125.5-129.5 °C(lit.) |
| Siedepunkt | bp10 225° |
| Dichte | 1.38 |
| Dampfdruck | 0Pa at 20℃ |
| Brechungsindex | 1.5600 (estimate) |
| Flammpunkt | 54°C |
| Lagerbedingungen | 15-25°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)173μg/L at 20℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.15±0.43(Predicted) |
| Farbe | Off-White to Pale Yellow |
| Merck | 14,3447 |
| Stabilität | Hygroscopic |
| Kosmetik-Inhaltsstoffe Funktionen | UV ABSORBER |
| 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 |
| InChIKey | MCPKSFINULVDNX-UHFFFAOYSA-N |
| SMILES | Cc1ccc(O)c(c1)-n2nc3ccccc3n2 |
| LogP (Verteilungskoeffizient) | 4.2 at 25℃ |
| CAS Datenbank | 2440-22-4(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-(2440-22-4) |
| EPA chemische Informationen | 2-(2H-Benzotriazol-2-yl)-p-cresol (2440-22-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.8% (7 of 885) of reports.WarningH317 (97.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H410 (47%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H413 (46%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 885 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 885 reports by companies.There are 18 notifications provided by 878 of 885 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300Drometrizole: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Phenolic benzotriazoles: Environment tier II assessment |
| Hazard Classes and Categories | Skin Sens. 1 (97.1%)Aquatic Chronic 1 (47%)Aquatic Chronic 4 (46%)Skin sensitization - Category 1BSpecific target organ toxicity - Single exposure - Category 1 (respiratory organs)Specific target organ toxicity - Repeated exposure - Category 2 (kidney)Hazardous to the aquatic environment (Long-term) - Category 1 |
| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| RTECS-Nr. | GO6860000 |
| R-Sätze (R) | 36/37/38-53-43 |
| Toxizität | LD50 oral in mouse: 6500mg/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 1Skin Sens. 1B |
Anwendungen & Verwendung
Verwenden
Drometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.