4-Amino-2-(trifluoromethyl)benzonitrile
Synonym(s):4-Cyano-3-trifluoromethylaniline
- CAS NO.：654-70-6
- Empirical Formula: C8H5F3N2
- Molecular Weight: 186.13
- MDL number: MFCD00042155
- EINECS: 000-000-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-24 19:19:26
What is 4-Amino-2-(trifluoromethyl)benzonitrile?
Chemical properties
Off-White Solid
The Uses of 4-Amino-2-(trifluoromethyl)benzonitrile
4-Amino-2-(trifluoromethyl)benzonitrile is used for the preparation of benzene derivatives as non-steroidal androgen receptor modulators.
The Uses of 4-Amino-2-(trifluoromethyl)benzonitrile
4-Amino-2-(trifluoromethyl)benzonitrile can serve as starting material in the synthesis of benzimidazoles, which can act as potential candidates in the treatment of breast cancer due to their ability to inhibit the growth of endothelial cells.
Properties of 4-Amino-2-(trifluoromethyl)benzonitrile
| Melting point: | 141-145 °C(lit.) |
| Boiling point: | 294.5±40.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO (Sparingly), Methanol (Slightly) |
| form | Powder |
| pka | 0.50±0.10(Predicted) |
| color | White to off-white |
| BRN | 3278074 |
| InChI | InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2 |
| CAS DataBase Reference | 654-70-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Amino-2-cyanobenzotrifluoride(654-70-6) |
Safety information for 4-Amino-2-(trifluoromethyl)benzonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
Computed Descriptors for 4-Amino-2-(trifluoromethyl)benzonitrile
| InChIKey | PMDYLCUKSLBUHO-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(N)C=C1C(F)(F)F |
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