HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,6-Dichlorbenzoxazol
DCBO · N-Butyldiolamine · dichlorobenzoxazole · 2,6-chlorobenzoxazole · 6-Dichlorobenzoxazole · 2,6-Dichlorbenzoxazol · 2,6-DICHLOROBENZOXAZOLE · 2,6-Dichlorobenzoxazolel
Identifikatoren & physikalische Daten
| CAS No. | 3621-82-7 |
|---|---|
| Summenformel | C7H3Cl2NO |
| Durchschnittliche Molmasse | 188,01 g/mol |
| Monoisotopische Masse | 186,9591691 g/mol |
| SMILES | Clc1ccc2nc(Cl)oc2c1 |
| InChIKey | LVVQTPZQNHQLOM-UHFFFAOYSA-N |
| PubChem CID | 77175 |
| EC No. | 222-818-9 |
| DTXSID | DTXSID60189769 |
| Lokaler Name | 2,6-Dichlorbenzoxazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 49-51°C |
| Siedepunkt | 110°C/13mmHg(lit.) |
| Dichte | 1.522±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | -0.96±0.30(Predicted) |
| Aggregatzustand | fused solid |
| Farbe | White |
| InChI | InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H |
| InChIKey | LVVQTPZQNHQLOM-UHFFFAOYSA-N |
| SMILES | O1C2=CC(Cl)=CC=C2N=C1Cl |
| CAS Datenbank | 3621-82-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (50.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (49.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (49.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (48.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H400 (49.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (50.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 81 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Status: Active Update: 06-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11973 |
| Hazard Classes and Categories | Acute Tox. 4 (98.8%)Acute Tox. 3 (50.6%)Skin Corr. 1B (49.4%)Skin Sens. 1 (49.4%)Eye Irrit. 2 (48.1%)Aquatic Acute 1 (49.4%)Aquatic Chronic 1 (50.6%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2934999090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2,6-Dichlorobenzoxazole is used in the synthesis of 2-(3-(2,6-dichloro-4-(3,3-dichloroallyloxy)phenoxy)propoxy)-5-(trifluoromethyl)benzo[d]oxazole, an insecticide against Spodoptera exigua.