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6-Chlor-α,α,α-trifluor-m-toluidin
2-CHLORO-5-(TRIFLUOROMETHYL)ANILINE · Fast Orange RD Salt · Fast Orange Salt RD · 6-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE · usafma-13 · C.I. 37050 · USAF ma-13 · orangesaltnrd
Identifikatoren & physikalische Daten
| CAS No. | 121-50-6 |
|---|---|
| Summenformel | C7H5ClF3N |
| Durchschnittliche Molmasse | 195,57 g/mol |
| Monoisotopische Masse | 195,0062615 g/mol |
| SMILES | Nc1cc(C(F)(F)F)ccc1Cl |
| InChIKey | VKTTYIXIDXWHKW-UHFFFAOYSA-N |
| PubChem CID | 8475 |
| ChEMBL | CHEMBL528932 |
| EC No. | 204-475-7 |
| DTXSID | DTXSID1059525 |
| Lokaler Name | 6-Chlor-α,α,α-trifluor-m-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 3.06 |
| Schmelzpunkt | 10 °C |
| Siedepunkt | 82-83 °C (9 mmHg) |
| Dichte | 1.428 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.15 hPa |
| Brechungsindex | n20/D 1.499(lit.) |
| Flammpunkt | 75 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 11g/l11 g/L (60 ºC) |
| pKa (Säurekonstante) | 1.43±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Yellow to Green |
| Wichte | 1.428 |
| BRN | 879910 |
| InChI | 1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2 |
| InChIKey | VKTTYIXIDXWHKW-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cc(c(cc1)Cl)N |
| CAS Datenbank | 121-50-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-chloro-5-(trifluoromethyl)-(121-50-6) |
| EPA chemische Informationen | Benzenamine, 2-chloro-5-(trifluoromethyl)- (121-50-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (94.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 110 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2-chloro-5-(trifluoromethyl)-Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20790 |
| Hazard Classes and Categories | Acute Tox. 4 (94.5%) |
| EPA Provisional Peer-Reviewed Toxicity Values | 3-Amino-4-chlorobenzotrifluoridePDF Document2011 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29214300 |
| RTECS-Nr. | XU5775000 |
| R-Sätze (R) | 20/21/22-51/53-36/37/38 |
| Gefahrensymbole | Xn,Xi,N |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37-60-57-36/37/39-26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
| Selbstentzündungstemperatur | ≥560°C |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-trifluoromethylaniline