HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,4-Dichlorbenzonitril
BUTTPARK 87\02-72 · 3,4-Dichlorobenzonit · 3,4-Dichlorbenzonitril · 3,4-Dichlorobenzonitrle · 3,4-DICHLOROBENZONITRILE · Benzonitrile, 3,4-dichloro- · 3,4-Dichlorobenzonitrile>3,4-Dichlorobenzonitrile 97% · Cyhalofop-butyl intermediate
Identifikatoren & physikalische Daten
| CAS No. | 6574-99-8 |
|---|---|
| Summenformel | C7H3Cl2N |
| Durchschnittliche Molmasse | 172,01 g/mol |
| Monoisotopische Masse | 170,96425446 g/mol |
| SMILES | N#Cc1ccc(Cl)c(Cl)c1 |
| InChIKey | KUWBYWUSERRVQP-UHFFFAOYSA-N |
| PubChem CID | 81051 |
| EC No. | 229-494-8 |
| DTXSID | DTXSID90215944 |
| Lokaler Name | 3,4-Dichlorbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 160 |
| LogP (Verteilungskoeffizient) | 2.98 |
| Schmelzpunkt | 74-78 °C (lit.) |
| Siedepunkt | 129-130 °C(Press: 0.01 Torr) |
| Dichte | 1.40±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Insoluble in water |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to brown |
| BRN | 2326352 |
| InChI | InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H |
| InChIKey | KUWBYWUSERRVQP-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(Cl)C(Cl)=C1 |
| LogP (Verteilungskoeffizient) | 2.8 at 21.5℃ |
| CAS Datenbank | 6574-99-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3,4-Dichlorobenzonitrile(6574-99-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzonitrile, 3,4-dichloro-Status: Active Update: 18-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11998 |
| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | N |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Irritant/Toxic |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,4-Dichlorobenzonitrilemay be used in the preparation of:3,4-difluorobenzonitrile 3-chloro-4-fluorobenzonitrile5-chloromethyl-3-( 3,4-dichlorophenyl)isoxazoleN-[3-(2-pyridyl)isoquinolin-1-yl]-3,4-dichlorobenzamidine