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Chloropentafluorobenzene
1-Chloro-2,3,4,5,6-pentafluorobenzene · Chloroperfluorobenzene · oropentafL · Chloropentafluoroben · Chlorpentafluorbenzol · pentaflurobenzoic acid · Pentafluorochlorobenzol · PENTAFLUOROCHLOROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 344-07-0 |
|---|---|
| Summenformel | C6ClF5 |
| Durchschnittliche Molmasse | 202,51 g/mol |
| Monoisotopische Masse | 201,9608685 g/mol |
| SMILES | Fc1c(F)c(F)c(Cl)c(F)c1F |
| InChIKey | KGCDGLXSBHJAHZ-UHFFFAOYSA-N |
| PubChem CID | 9579 |
| EC No. | 206-450-6 |
| DTXSID | DTXSID4059837 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| Kovats Retention Index | 748 |
| Schmelzpunkt | -15.66°C |
| Siedepunkt | 122-123 °C/750 mmHg (lit.) |
| Dichte | 1.568 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.424(lit.) |
| Flammpunkt | 116-118°C |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Wichte | 1.651.568 |
| BRN | 1819389 |
| InChI | InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| InChIKey | KGCDGLXSBHJAHZ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(F)C(F)=C(F)C(F)=C1F |
| CAS Datenbank | 344-07-0(CAS DataBase Reference) |
| EPA chemische Informationen | Benzene, chloropentafluoro- (344-07-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.2%)Eye Irrit. 2 (95.2%)STOT SE 3 (95.2%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29039990 |
| RTECS-Nr. | CZ1225500 |
| R-Sätze (R) | 20-36/37/38 |
| Toxizität | dns-rat:lvr 10 mg/L NTIS** AD-A165-849 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-26 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 Inhalation |
Anwendungen & Verwendung
Verwenden
Chloropentafluorobenzene has been used in the preparation of:1,2-difluoro-1,2-bis-(pentafluorophenyl)dichlorane via fluorination with elemental fluorine at 128°C5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at 78°C