HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitro-4-(trifluormethyl)benzonitril
4-Cyano-3-Nitro · BUTTPARK 32\10-73 · 4-CYANO-3-NITROBENZOTRIFLUORIDE · 2-Nitro-4-fluoromethylbenzonitrile · 4-Cyano-3-nitrobenzotrifluoride99% · 4-Cyano-3-nitrobenzotrifluoride 99% · 2-Nitro-4-trifluoromethylbenzotrile · 2-Nitro-4-(trifluoromethyl)benzonitrile
Identifikatoren & physikalische Daten
| CAS No. | 778-94-9 |
|---|---|
| Summenformel | C8H3F3N2O2 |
| Durchschnittliche Molmasse | 216,12 g/mol |
| Monoisotopische Masse | 216,014662 g/mol |
| SMILES | N#Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] |
| InChIKey | BQCWLXXZTCLGSZ-UHFFFAOYSA-N |
| PubChem CID | 69902 |
| EC No. | 212-298-1 |
| DTXSID | DTXSID40228423 |
| Lokaler Name | 2-Nitro-4-(trifluormethyl)benzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 301 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| Schmelzpunkt | 44-47 °C(lit.) |
| Siedepunkt | 156-158 °C18 mm Hg(lit.) |
| Dichte | 1.5604 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| Farbe | Low-melting |
| BRN | 1882259 |
| InChI | InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H |
| InChIKey | BQCWLXXZTCLGSZ-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O |
| CAS Datenbank | 778-94-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Cyano-3-nitrobenzotrifluoride(778-94-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (20.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13831 |
| Hazard Classes and Categories | Acute Tox. 4 (20.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38-20/21/22-36/38 |
| Gefahrensymbole | Xi,T,Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36-36/37/39-36/37 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Nitro-4-(trifluoromethyl)benzonitrile was used in the preparation of 2-nitro-4-(trifluoromethyl)benzaldehyde.