HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-Bis(chlormethyl)benzol
O-XYLYLENE DICHLORIDE · o-Xylylene · o-Dichlorobenzyl · o-Bis(chloromethyl)benzene · oro-o-xyL · α,α'-DichL · o-xylenedichloride · O-XYLYLENE CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 612-12-4 |
|---|---|
| Summenformel | C8H8Cl2 |
| Durchschnittliche Molmasse | 175,05 g/mol |
| Monoisotopische Masse | 174,00030562 g/mol |
| SMILES | ClCc1ccccc1CCl |
| InChIKey | FMGGHNGKHRCJLL-UHFFFAOYSA-N |
| PubChem CID | 11919 |
| ChEMBL | CHEMBL3561068 |
| EC No. | 210-291-8 |
| DTXSID | DTXSID7052284 |
| Lokaler Name | 1,2-Bis(chlormethyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 81,3 |
| SpringerMaterials Properties | Fusion temperature |
| Schmelzpunkt | 51-55 °C (lit.) |
| Siedepunkt | 239-241 °C (lit.) |
| Dichte | 1.3930 |
| Brechungsindex | 1.5544 (estimate) |
| Flammpunkt | 226 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | soluble in Methanolhydrolysis |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | white to light beige |
| BRN | 2043675 |
| Henry-Konstante | 1.0×10-1 mol/(m3Pa) at 25℃, Hiatt (2013) |
| InChI | 1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2 |
| InChIKey | FMGGHNGKHRCJLL-UHFFFAOYSA-N |
| SMILES | ClCc1ccccc1CCl |
| CAS Datenbank | 612-12-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2-bis(chloromethyl)-(612-12-4) |
| EPA chemische Informationen | 1,2-Bis(chloromethyl)benzene (612-12-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (19.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24371 |
| Hazard Classes and Categories | Acute Tox. 4 (19.6%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29036990 |
| RTECS-Nr. | ZE4085000 |
| R-Sätze (R) | 34-36/37-36/37/38-50/53-26-22-36 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45-24/25-61-29-28A |
| Gefahrenklasse | 6.1Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,2-Bis(chloromethyl)benzene is used in solid-phase synthesis of large combinatorial variations of fundamental peptide unit 1 .