A2264212
4-Chloro-3-nitrobenzotrifluoride , 98% , 121-17-5
Synonym(s):
2-Chloro-5-(trifluoromethyl)nitrobenzene;4-Chloro-3-nitro-α,α,α-trifluorotoluene;CMNT;MNT-Cl
CAS NO.：121-17-5
Empirical Formula: C7H3ClF3NO2
Molecular Weight: 225.55
MDL number: MFCD00007084
EINECS: 204-451-6
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -2 °C |
| Boiling point: | 222 °C(lit.) |
| Density | 1.511 g/mL at 25 °C(lit.) |
| vapor pressure | 10Pa at 25℃ |
| refractive index | n |
| Flash point: | 215 °F |
| storage temp. | Store below +30°C. |
| solubility | Chloroform, Methanol (Slightly) |
| form | Liquid |
| color | Clear yellow |
| Water Solubility | Insoluble |
| BRN | 523986 |
| Henry's Law Constant | 7.2×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H |
| InChIKey | TZGFQIXRVUHDLE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F |
| LogP | 3.42 |
| CAS DataBase Reference | 121-17-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-(121-17-5) |
| EPA Substance Registry System | 4-Chloro-3-nitrobenzotrifluoride (121-17-5) |
Description and Uses
4-Chloro-3-nitrobenzotrifluoride is a chemical reagent used in chemical synthesis such as trifluoromethoxylated aniline derivatives.
Safety
| Symbol(GHS) |   GHS07,GHS09 |
| Signal word | Warning |
| Hazard statements | H302-H410 |
| Precautionary statements | P273-P301+P312+P330 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn,T,Xi |
| Risk Statements | 22-36/37/38-20/21/22 |
| Safety Statements | 26-36-37/39 |
| RIDADR | UN 2307 |
| WGK Germany | 2 |
| RTECS | XS9140000 |
| Hazard Note | Toxic |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29049085 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 121-17-5(Hazardous Substances Data) |
| REACH Registrations | Active |
| Limited Quantities | 100ml (liquid) or 0.5 Kg (solid) |
| Excepted Quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) |
