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α,2,4-Trichlortoluol
2,4-Dichloro-1-(chloromethyl)benzene · 2,4-DCBC · 2,4-dichlorobenzyl · 2,4-Dichlorbenzylchlorid · 2,4-dichloro-1-chloromethyl-benzene · NSC 406892 · AKOS BBS-00004051 · 2,4-Dichlorobenzyl c
Identifikatoren & physikalische Daten
| CAS No. | 94-99-5 |
|---|---|
| Summenformel | C7H5Cl3 |
| Durchschnittliche Molmasse | 195,5 g/mol |
| Monoisotopische Masse | 193,9456832 g/mol |
| SMILES | ClCc1ccc(Cl)cc1Cl |
| InChIKey | IRSVDHPYXFLLDS-UHFFFAOYSA-N |
| PubChem CID | 7212 |
| ChEMBL | CHEMBL3183024 |
| EC No. | 202-381-0 |
| DTXSID | DTXSID9045005 |
| Lokaler Name | α,2,4-Trichlortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 105 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -2.6 °C (lit.) |
| Siedepunkt | 248 °C (lit.) |
| Dichte | 1.407 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.576(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oily Liquid |
| Farbe | Clear colorless to very light yellow |
| BRN | 387220 |
| InChI | InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2 |
| InChIKey | IRSVDHPYXFLLDS-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC=C(Cl)C=C1Cl |
| LogP (Verteilungskoeffizient) | 4.08 |
| CAS Datenbank | 94-99-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 2,4-dichloro-1-(chloromethyl)-(94-99-5) |
| EPA chemische Informationen | Benzene, 2,4-dichloro-1-(chloromethyl)- (94-99-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (54.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, 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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 107 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 2,4-dichloro-1-(chloromethyl)-Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17874 |
| Hazard Classes and Categories | Acute Tox. 4 (54.2%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29036990 |
| R-Sätze (R) | 34-37-50/53-22 |
| Gefahrensymbole | C,N |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-61-60 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4-Dichlorobenzyl chloride is a reagent used in the addition of dichlorobenzene.