HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Chlor-4-fluor-2-nitrobenzol
1-CHLORO-4-FLUORO-2-NITROBENZENE · 2-CHLORO-5-FLUORONIT · 2-Chloro-5-fluoronitro · 2-CHLORO-5-FLUORONITROBENZENE · 2-chloro-5-fluoronitrobenzenen · 2-chloro-5-fluoronitrobenzenene · 1-chloro-4-fluoro-2-nitrobenzen · 2-Chloro-5-fluoronitrobenzene99%
Identifikatoren & physikalische Daten
| CAS No. | 345-17-5 |
|---|---|
| Summenformel | C6H3ClFNO2 |
| Durchschnittliche Molmasse | 175,54 g/mol |
| Monoisotopische Masse | 174,98363424 g/mol |
| SMILES | O=[N+]([O-])c1cc(F)ccc1Cl |
| InChIKey | DVXDJQKEEKXJBW-UHFFFAOYSA-N |
| PubChem CID | 67659 |
| EC No. | 206-456-9 |
| DTXSID | DTXSID60188055 |
| Lokaler Name | 1-Chlor-4-fluor-2-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 161 |
| Schmelzpunkt | 37-40 °C (lit.) |
| Siedepunkt | 238 °C (lit.) |
| Dichte | 1.5019 (estimate) |
| Flammpunkt | 229 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump |
| Farbe | Light yellow to Yellow to Orange |
| BRN | 2094191 |
| InChI | 1S/C6H3ClFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H |
| InChIKey | DVXDJQKEEKXJBW-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(F)ccc1Cl |
| CAS Datenbank | 345-17-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (10.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29049090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-fluoronitrobenzene may be used in the preparation of N,N-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamine. It may be used in the synthesis of N-methyl-2-(2-amino-4-fluorophenylthio)benzylamine.