HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Chloromethyl)benzonitrile
chloranuide · Zinc02583900 · Letrozole Impurity 30 · m-Cyanobenzyl chloride · 3-CYANO BENZYL CHLORIDE · alpha-Chloro-m-tolunitrile · 3-Cyanobenzyl Chloride >3-CHLOROMETHYLBENZONITRILE · 3-(Chloromethyl)Tolunitrile
Identifikatoren & physikalische Daten
| CAS No. | 64407-07-4 |
|---|---|
| Summenformel | C8H6ClN |
| Durchschnittliche Molmasse | 151,59 g/mol |
| Monoisotopische Masse | 151,01887687 g/mol |
| SMILES | N#Cc1cccc(CCl)c1 |
| InChIKey | WRXVOTDGLNPNND-UHFFFAOYSA-N |
| PubChem CID | 522126 |
| EC No. | 613-587-9 |
| DTXSID | DTXSID00334857 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 147 |
| Schmelzpunkt | 67.0 to 71.0 °C |
| Siedepunkt | 260°C(lit.) |
| Dichte | 1.1976 (rough estimate) |
| Brechungsindex | 1.5660 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| InChI | InChI=1S/C8H6ClN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2 |
| InChIKey | WRXVOTDGLNPNND-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC(CCl)=C1 |
| CAS Datenbank | 64407-07-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (92.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2923 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 22-36/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Cyanobenzyl chloride