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α-Chlor-m-xylol
MBC · 1-Chloromethyl-3-methylbenzene · M-XYLYL CHLORIDE · α-chloro-m-xylene · 3-MBC · -Chloro-m-xylene · AKOS BBS-00004023 · A-CHLORO-M-XYLENE
Identifikatoren & physikalische Daten
| CAS No. | 620-19-9 |
|---|---|
| Summenformel | C8H9Cl |
| Durchschnittliche Molmasse | 140,61 g/mol |
| Monoisotopische Masse | 140,03927797 g/mol |
| SMILES | Cc1cccc(CCl)c1 |
| InChIKey | LZBOHNCMCCSTJX-UHFFFAOYSA-N |
| PubChem CID | 12102 |
| EC No. | 210-628-9 |
| DTXSID | DTXSID60211034 |
| Lokaler Name | α-Chlor-m-xylol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Liquid |
| Schmelzpunkt | -41.95°C (estimate) |
| Siedepunkt | 195-196 °C(lit.) |
| Dichte | 1.064 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.535(lit.) |
| Flammpunkt | 168 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Insoluble |
| Merck | 14,10091 |
| BRN | 2040357 |
| InChI | InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3 |
| InChIKey | LZBOHNCMCCSTJX-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC=CC(C)=C1 |
| CAS Datenbank | 620-19-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-(chloromethyl)-3-methyl-(620-19-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (36.5%): 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+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 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-(chloromethyl)-3-methyl-Benzene, 1-(chloromethyl)-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(chloromethyl)-3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.3-Methylbenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (36.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29036990 |
| R-Sätze (R) | 34-36/37-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant/Corrosive |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45-37/39 |
| Gefahrenklasse | 8Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Methylbenzyl chloride is used as an organic light-emitting diode and as an intermediate in organic synthesis.