HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamid
Track · Pree · Butisan · bas479h · Pyramid · BAS 479H · BUTISAN S · BAS 47900H
Identifikatoren & physikalische Daten
| CAS No. | 67129-08-2 |
|---|---|
| Summenformel | C14H16ClN3O |
| Durchschnittliche Molmasse | 277,75 g/mol |
| Monoisotopische Masse | 277,09818981 g/mol |
| SMILES | Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl |
| InChIKey | STEPQTYSZVCJPV-UHFFFAOYSA-N |
| PubChem CID | 49384 |
| ChEMBL | CHEMBL2272118 |
| ChEBI | CHEBI:6798 |
| EC No. | 266-583-0 |
| DTXSID | DTXSID4058156 |
| Lokaler Name | 2-Chlor-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamid |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 303 |
| Pestizide | HerbicidesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides |
| LogP (Verteilungskoeffizient) | 2.22 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 74-78°C |
| Siedepunkt | 439.2±45.0 °C(Predicted) |
| Dichte | 1.237-1.323 g/cm3(Temp: 25 °C) |
| Flammpunkt | 2 °C |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.54±0.10(Predicted) |
| Farbe | Off-White to Pale Beige |
| BRN | 621550 |
| Henry-Konstante | 1.3×101 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3 |
| InChIKey | STEPQTYSZVCJPV-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl |
| LogP (Verteilungskoeffizient) | 2.130 |
| CAS Datenbank | 67129-08-2(CAS DataBase Reference) |
| NIST chemische Informationen | Acetamide, 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)-(67129-08-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H302 (16.9%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 1107/2009 (amended)Reg. (EU) 2022/708, 2008/116/EC, 2009/155/EC, Reg. (EU) 2017/195, Reg. (EU) 2018/155, Reg. (EU) 2021/745, Reg. (EU) 2023/918, Reg. (EU) 2026/1826, Reg. (EU) No 540/2011 |
| Hazard Classes and Categories | Acute Tox. 4 (16.9%)Skin sensitisation - category 1BCarc. 2 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1648 3/PG 2 |
| Zollcode | 29331990 |
| RTECS-Nr. | AB5442000 |
| R-Sätze (R) | 22-36-20/21/22-11-43 |
| Gefahrensymbole | Xn,F |
| Sicherheitshinweise (S) | 36-26-16-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
A chloroacetanilide herbicide used on vegetable crops.