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3,5-Dichloranisol
1,3-DICHLORO-5-METHOXYBENZENE · 3.5-Dichloroan · 3,5-DICHLORANISOL · 3,5-DICHLOROANISOLE · 3,5-Dichloroanisole 98% · 3,5-Dichloroanisole,98% · 3,5-Dichlorobenzyl ether · Benzene, 1,3-dichloro-5-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 33719-74-3 |
|---|---|
| Summenformel | C7H6Cl2O |
| Durchschnittliche Molmasse | 177,02 g/mol |
| Monoisotopische Masse | 175,97957017 g/mol |
| SMILES | COc1cc(Cl)cc(Cl)c1 |
| InChIKey | SSNXYMVLSOMJLU-UHFFFAOYSA-N |
| PubChem CID | 36588 |
| EC No. | 251-655-6 |
| DTXSID | DTXSID80187404 |
| Lokaler Name | 3,5-Dichloranisol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 97,8 |
| Stoffklassen | Other Classes -> Halogenated Anisoles |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 3.74 |
| Dampfdruck | 0.16 [mmHg] |
| Physical Description | White crystalline powder[Acros Organics MSDS] |
| Schmelzpunkt | 39-41 °C (dec.) (lit.) |
| Siedepunkt | 97°C 7,6mm |
| Dichte | 1.289±0.06 g/cm3(Predicted) |
| Flammpunkt | 223 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1936395 |
| Henry-Konstante | 2.3×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001) |
| InChI | 1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3 |
| InChIKey | SSNXYMVLSOMJLU-UHFFFAOYSA-N |
| SMILES | COc1cc(Cl)cc(Cl)c1 |
| CAS Datenbank | 33719-74-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 3,5-dichloro-1-methoxy-(33719-74-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[Acros Organics MSDS] See Anisole. |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38-20/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,5-Dichloroanisole, is a chlorinated anisole derivative, possessing possible antibacterial activity. It is also an organic building block that can be used for the synthesis of chlorinated chemical compounds, such as polychlorinated dibenzofurans (PCDD/F).