1-Nitro-3-(trifluormethyl)benzol
Bezeichnung:1-Nitro-3-(trifluormethyl)benzol
CAS-Nr98-46-4
Englisch Name:3-Nitrobenzotrifluoride
CBNumberCB1195437
SummenformelC7H4F3NO2
Molgewicht191.11
MOL-Datei98-46-4.mol
Synonyma
α,α,α-Trifluor-3-nitrotoluol
1-Nitro-3-(trifluormethyl)benzol
1-Nitro-3-(trifluormethyl)benzol physikalisch-chemischer Eigenschaften
| Schmelzpunkt | -5 °C |
| Siedepunkt | 200-205 °C(lit.) |
| Dichte | 1.436 g/mL at 25 °C(lit.) |
| Brechungsindex | n |
| Flammpunkt | 190 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Yellow to Green |
| Wasserlöslichkeit | 0.4 g/L (20 ºC) |
| BRN | 2051362 |
| Henry's Law Constant | 5.3×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Expositionsgrenzwerte | ACGIH: TWA 2.5 mg/m3 NIOSH: IDLH 250 mg/m3 |
| InChI | InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H |
| InChIKey | WHNAMGUAXHGCHH-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)=CC=CC(C(F)(F)F)=C1 |
| CAS Datenbank | 98-46-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-nitro-3-(trifluoromethyl)-(98-46-4) |
| EPA chemische Informationen | 3-Nitrobenzotrifluoride (98-46-4) |
| Kennzeichnung gefährlicher | T+,T,Xi |
| R-Sätze: | 22-26-36/37/38-52/53-21/22 |
| S-Sätze: | 26-28-36/37-45-61-36/37/39-28A |
| RIDADR | UN 2306 6.1/PG II (NITROBENZOTRIFLUORIDES, LIQUID) |
| RIDADR | UN 3431 6.1/PG II (NITROBENZOTRIFLUORIDES, SOLID) |
| WGK Germany | 2 |
| RTECS-Nr. | XT3500000 |
| Hazard Note | Highly Toxic/Irritant |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29049090 |
| Speicherklasse | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Giftige Stoffe Daten | 98-46-4(Hazardous Substances Data) |
