HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-p-toluonitril
3-CHLORO-4-TOLUNITRILE · 3-CHLORO-P-TOLUNITRILE · 2-Chloro-4-cyanotoluene · 3-chloro-p-toluonitrile · 3-Chlor-4-methyl-benzonitril · 3-Chloro-4-methylbenzonitrile · 3-Chloro-4-methylaminobenzoate · Benzonitrile, 3-chloro-4-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 21423-81-4 |
|---|---|
| Summenformel | C8H6ClN |
| Durchschnittliche Molmasse | 151,59 g/mol |
| Monoisotopische Masse | 151,01887687 g/mol |
| SMILES | Cc1ccc(C#N)cc1Cl |
| InChIKey | INEMHABDFCKBID-UHFFFAOYSA-N |
| PubChem CID | 88894 |
| EC No. | 244-381-3 |
| DTXSID | DTXSID50175696 |
| Lokaler Name | 3-Chlor-p-toluonitril |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 45-48 °C (lit.) |
| Siedepunkt | 106°C/6mm |
| Dichte | 1.19 |
| Flammpunkt | 183 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 |
| InChIKey | INEMHABDFCKBID-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(C)C(Cl)=C1 |
| CAS Datenbank | 21423-81-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (97.5%): Flammable solid [Danger Flammable solids]P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Benzonitrile, 3-chloro-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Sol. 2 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | Xi,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36 |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
| Gefahrenklasse | Flam. Sol. 2 |
Anwendungen & Verwendung
Verwenden
3-Chloro-4-methylbenzonitrile may be used in chemical synthesis studies.