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α,3,4-Trichlortoluol
3,4-DICHLOROBENZYL CHLORIDE · 3,4-DCBC · AKOS BBS-00003955 · 3,4-Dichlorobenzyl · 3，4，Α-Trichlorotolue · 3,4-Dichlorobenzyl C · A,3,4-TRICHLOROTOLUENE · 3，4，α-Trichlorotoluene
Identifikatoren & physikalische Daten
| CAS No. | 102-47-6 |
|---|---|
| Summenformel | C7H5Cl3 |
| Durchschnittliche Molmasse | 195,5 g/mol |
| Monoisotopische Masse | 193,945683 g/mol |
| SMILES | ClCc1ccc(Cl)c(Cl)c1 |
| InChIKey | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| PubChem CID | 7609 |
| EC No. | 203-033-0 |
| DTXSID | DTXSID9059252 |
| Lokaler Name | α,3,4-Trichlortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 105 |
| Kovats Retention Index | 1355.81353.6 |
| Schmelzpunkt | -3 °C |
| Siedepunkt | 122-124 °C14 mm Hg(lit.) |
| Dichte | 1.411 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.577(lit.) |
| Flammpunkt | 155 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 1.409 |
| Farbe | Clear colorless to very slightly yellow |
| BRN | 386644 |
| InChI | InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2 |
| InChIKey | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=C(CCl)C=C1Cl |
| CAS Datenbank | 102-47-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2-dichloro-4-(chloromethyl)-(102-47-6) |
| EPA chemische Informationen | Benzene, 1,2-dichloro-4-(chloromethyl)- (102-47-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 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 | Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-Benzene, 1,2-dichloro-4-(chloromethyl)-: 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 | Skin Corr. 1B (94.1%)STOT SE 3 (88.2%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29036990 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole