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9-(Chlormethyl)anthracen
icr448 · ICR 448 · 9-Chlormethyl-anthracen · 9-Chloromethyanthracene · 9-chloromethyl-anthracen · 9-CHLOROMETHYLANTHRACENE · 9-(choromethyl)anthracene · 9-(chloroMethyl)antracene
Identifikatoren & physikalische Daten
| CAS No. | 24463-19-2 |
|---|---|
| Summenformel | C15H11Cl |
| Durchschnittliche Molmasse | 226,7 g/mol |
| Monoisotopische Masse | 226,05492803 g/mol |
| SMILES | ClCc1c2ccccc2cc2ccccc12 |
| InChIKey | PCVRSXXPGXRVEZ-UHFFFAOYSA-N |
| PubChem CID | 32385 |
| ChEMBL | CHEMBL1446266 |
| EC No. | 246-274-7 |
| DTXSID | DTXSID00179220 |
| Lokaler Name | 9-(Chlormethyl)anthracen |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 216 |
| Schmelzpunkt | 138-140 °C (lit.) |
| Siedepunkt | 294.66°C (rough estimate) |
| Dichte | 1.1510 (rough estimate) |
| Brechungsindex | 1.6281 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | chloroform: solubleSoluble in chloroform. Insoluble in water. |
| Aggregatzustand | Powder |
| Farbe | Yellow |
| BRN | 1873394 |
| InChI | InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2 |
| InChIKey | PCVRSXXPGXRVEZ-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=C3C(=C2CCl)C=CC=C3)=CC=C1 |
| CAS Datenbank | 24463-19-2(CAS DataBase Reference) |
| NIST chemische Informationen | 9-(Chloromethyl)anthracene(24463-19-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Anthracene, 9-(chloromethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (16.7%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29039990 |
| RTECS-Nr. | CA9600000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | mouse,LDLo,intravenous,2267ug/kg (2.267mg/kg),Cancer Research. Vol. 36, Pg. 2423, 1976. |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
9-(Chloromethyl)anthracene is used as a blocking group reagent used for carboxylic acids, phenols, mercaptans and thiophenols. It is a derivatizing agent for carboxylic acids giving esters with enhanced UV and fluorescence detection in HPLC.