HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
alpha, 3-Dichlortoluol
MCBC · AKOS BBS-00004024 · A,M-DICHLOROTOLUENE · 3,α-dichlorotoluene · à,3-dichlorotoluene · m,a-Dichlorotoluene · m,α-Dichlorotoluene · 3-Chlorobenzyl chlor
Identifikatoren & physikalische Daten
| CAS No. | 620-20-2 |
|---|---|
| Summenformel | C7H6Cl2 |
| Durchschnittliche Molmasse | 161,03 g/mol |
| Monoisotopische Masse | 159,98465555 g/mol |
| SMILES | ClCc1cccc(Cl)c1 |
| InChIKey | DDGRAFHHXYIQQR-UHFFFAOYSA-N |
| PubChem CID | 12103 |
| ChEMBL | CHEMBL3561692 |
| EC No. | 210-629-4 |
| DTXSID | DTXSID2057786 |
| Lokaler Name | alpha, 3-Dichlortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 3.27°C (estimate) |
| Siedepunkt | 215-216 °C (lit.) |
| Dichte | 1.27 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.555(lit.) |
| Flammpunkt | 210 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 742266 |
| InChI | InChI=1S/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChIKey | DDGRAFHHXYIQQR-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=CC(CCl)=C1 |
| CAS Datenbank | 620-20-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-chloro-3-(chloromethyl)-(620-20-2) |
| EPA chemische Informationen | Benzene, 1-chloro-3-(chloromethyl)- (620-20-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.4% (1 of 71) of reports.DangerH302 (25.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-chloro-3-(chloromethyl)- |
| Hazard Classes and Categories | Acute Tox. 4 (25.4%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2235 6.1/PG 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 34-51/53-43-36-20/21/22 |
| Gefahrensymbole | C,N,Xn |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45-61-14C |
| Gefahrenklasse | 6.1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Chlorobenzyl chloride has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.