HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methyl-1H-benzotriazol
TOLYTRIAZOLE · 5-Methyl-1H-benzo[d][1,2,3]triazole · 5-Methyl-2H-benzotriazole · 5MBT · 5-methyl-1h-benzotriazol · 6-Methyl-1H-benzotriazole · Retrocure G · Vulkalent TM
Identifikatoren & physikalische Daten
| CAS No. | 136-85-6 |
|---|---|
| Summenformel | C7H7N3 |
| Durchschnittliche Molmasse | 133,15 g/mol |
| Monoisotopische Masse | 133,06399722 g/mol |
| SMILES | Cc1ccc2n[nH]nc2c1 |
| InChIKey | LRUDIIUSNGCQKF-UHFFFAOYSA-N |
| PubChem CID | 8705 |
| ChEMBL | CHEMBL2148100 |
| ChEBI | CHEBI:83455 |
| EC No. | 205-265-8 |
| DTXSID | DTXSID1038743 |
| Lokaler Name | 5-Methyl-1H-benzotriazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| Stoffklassen | Waste-water effluent contaminant |
| Polymers | Rubber |
| LogP (Verteilungskoeffizient) | 1.89 |
| Physical Description | Large Crystals |
| Collision Cross Section | 124.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1038743]124.64 Ų [M-H]- |
| Schmelzpunkt | 80-82 °C(lit.) |
| Siedepunkt | 210-212 °C12 mm Hg(lit.) |
| Dichte | 1.1873 (rough estimate) |
| Dampfdruck | 0.001Pa at 25℃ |
| Brechungsindex | 1.5341 (estimate) |
| Flammpunkt | 210-212°C/12mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)6.0 g/L (25 ºC) |
| pKa (Säurekonstante) | 8.74±0.40(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Cream to beige |
| BRN | 116658 |
| InChI | 1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) |
| InChIKey | LRUDIIUSNGCQKF-UHFFFAOYSA-N |
| SMILES | Cc1ccc2[nH]nnc2c1 |
| CAS Datenbank | 136-85-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-benzotriazole, 5-methyl-(136-85-6) |
| EPA chemische Informationen | 5-Tolyltriazole (136-85-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (1 of 202) of reports.DangerH302 (99%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 202 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Benzotriazole, 6-methyl-1H-Benzotriazole, 6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Benzotriazole, 6-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: 10-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/237461H-Benzotriazole, 5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (99%) |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | 5-Methyl-1H-benzotriazoleWaste-water effluent contaminantSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| RTECS-Nr. | DM1400000 |
| R-Sätze (R) | 20/21/22-36/37/38-37-22 |
| Toxizität | guinea pig,LD50,skin,> 1gm/kg (1000mg/kg),Kodak Company Reports. Vol. 21MAY1971, |
Anwendungen & Verwendung
Verwenden
5-Methyl-1H-benzotriazole was used in determination of benzothiazoles and benzotriazoles in waste water samples by GC-MS. It is also used as a potential nitrification inhibitor of urea fertilizer in agricultural soils.