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HCID 61213Erstellt: 24. Oktober 2026
2-Chlor-α,α,α-trifluor-5-nitrotoluol
1-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)BENZENE · TIMTEC-BB SBB007665 · 2-chloro-5-nitrobenzotrifuoride · 2-chloro-5-nitrotrifluorotoluol · 2-Chloro-5-nitrobenzotriluoride · 2-CHLORO-5-NITROBENZOTRIFLUORIDE · 5-NITRO-2-CHLOROBENZOTRIFLUORIDE · 2-Chloro-5-nitrobenzotrifluoride98%
https://huagongshe.com/de/chemical/61213
Identifikatoren & physikalische Daten
| CAS No. | 777-37-7 |
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| Summenformel | C7H3ClF3NO2 |
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| Durchschnittliche Molmasse | 225,55 g/mol |
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| Monoisotopische Masse | 224,98044068 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1 |
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| InChIKey | HQROXDLWVGFPDE-UHFFFAOYSA-N |
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| PubChem CID | 61213 |
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| EC No. | 212-287-1 |
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| DTXSID | DTXSID3061130 |
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| Lokaler Name | 2-Chlor-α,α,α-trifluor-5-nitrotoluol |
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Chemische & physikalische Eigenschaften
| XLogP | 4 |
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| Polarare Oberfläche (TPSA) | 45,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 228 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 22°C |
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| Siedepunkt | 108 °C/10 mmHg (lit.) |
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| Dichte | 1.527 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.508(lit.) |
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| Flammpunkt | 210 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to lump to clear liquid |
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| Farbe | White or Colorless to Yellow |
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| Wichte | 1.527 |
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| BRN | 2216169 |
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| InChI | 1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H |
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| InChIKey | HQROXDLWVGFPDE-UHFFFAOYSA-N |
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| SMILES | [O-][N+](=O)c1ccc(Cl)c(c1)C(F)(F)F |
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| CAS Datenbank | 777-37-7(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzene, 1-chloro-4-nitro-2-(trifluoromethyl)-(777-37-7) |
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| EPA chemische Informationen | 2-Chloro-5-nitrobenzotrifluoride (777-37-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (89.4%): 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | The 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.) |
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| Hazard Classes and Categories | Acute Tox. 4 (89.4%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | 2810 |
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| Zollcode | 29039990 |
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| R-Sätze (R) | 22-36/37/38-20/21/22 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-36 |
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| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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Anwendungen & Verwendung
Verwenden
2-Chloro-5-nitrobenzotrifluoride is a polysubstituted organic fluorotoluene analogue. Its molecular structure has a reactive group chlorine atom at the 2-position and a nitro group at the 5-position. Therefore, the substance has high chemical reactivity and is widely used in the field of organic synthesis. It can be used to prepare asymmetric and symmetric diamine monomers containing trifluoromethyl groups, which in turn can be used to further prepare soluble polyimide, a multifunctional molecular material[1].
