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2-Chlor-α,α,α-trifluortoluol
O-CHLOROBENZOTRIFLUORIDE · 1-CHLORO-2-(TRIFLUOROMETHYL)BENZENE · 2-Chloro-alpha · 2-Chlorobenzotrifluo · Chlorobenzotrifluoride · 2-Chlorobezotrifluoride · o-Trifluoromethylphenyl · O-CHLOROBENZOTRIFLURIDE
Identifikatoren & physikalische Daten
| CAS No. | 52181-51-8 |
|---|---|
| Summenformel | C7H4ClF3 |
| Durchschnittliche Molmasse | 180,55 g/mol |
| Monoisotopische Masse | 179,9953623 g/mol |
| SMILES | FC(F)(F)c1ccccc1Cl |
| InChIKey | DGRVQOKCSKDWIH-UHFFFAOYSA-N |
| PubChem CID | 6921 |
| ChEMBL | CHEMBL1301432 |
| EC No. | 201-805-1 |
| DTXSID | DTXSID9024774 |
| Lokaler Name | 2-Chlor-α,α,α-trifluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 132 |
| Dichte | 1.254 @ 30°C1.379 g/mL at 25 °C(lit.) |
| Siedepunkt | 152.2 °C @760 [mm Hg]152 °C(lit.) |
| Kovats Retention Index | 883.4 |
| Schmelzpunkt | -7.4 °C |
| Brechungsindex | n20/D 1.456(lit.) |
| Flammpunkt | 138 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Wichte | 1.379 |
| Explosionsgrenze | 1.7%(V) |
| Löslichkeit | <0.1 g/100 mL at 19.5 ºC |
| BRN | 510993 |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H |
| InChIKey | DGRVQOKCSKDWIH-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccccc1Cl |
| CAS Datenbank | 88-16-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-chloro-2-(trifluoromethyl)-(88-16-4) |
| EPA chemische Informationen | 2-Chlorobenzotrifluoride (88-16-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]H302 (76.8%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (88%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 284 reports by companies from 10 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. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Hazard Classes and Categories | Flam. Liq. 3 (90.8%)Acute Tox. 4 (76.8%)Skin Irrit. 2 (88%)Eye Irrit. 2 (88%)STOT SE 3 (87.7%)Flammable agents - 2nd degree, Reactive agents - 1st degree |
| Protective Action Criteria (PAC) | 20 [mg/m3]220 [mg/m3]1300 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2234 (CHLOROBENZOTRIFLUORIDES) |
| Zollcode | 29036990 |
| RTECS-Nr. | XS9141000 |
| R-Sätze (R) | 10-36/37/38-22 |
| Gefahrensymbole | Xi,F,Xn,N |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39-16 |
| Gefahrenklasse | 3Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Dye intermediate, chemical intermediate, solvent, and dielectric fluid.