trans-3,4-Difluorocinnamic acid
- CAS NO.：112897-97-9
- Empirical Formula: C9H6F2O2
- Molecular Weight: 184.14
- MDL number: MFCD00010320
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is trans-3,4-Difluorocinnamic acid?
Chemical properties
white to light yellow crystal powder
The Uses of trans-3,4-Difluorocinnamic acid
trans-3,4-Difluorocinnamic Acid is a starting material in the preparation of Ticagrelor (T437700), which is the first reversible oral P2Y12 receptor antagonist, provides faster, greater, and more consistent ADP-receptor inhibition than Clopidogrel.
Properties of trans-3,4-Difluorocinnamic acid
| Melting point: | 194-196 °C(lit.) |
| Boiling point: | 281.3±25.0 °C(Predicted) |
| Density | 1.3056 (estimate) |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 4.27±0.10(Predicted) |
| color | White to Almost white |
| BRN | 7370322 |
| CAS DataBase Reference | 112897-97-9(CAS DataBase Reference) |
Safety information for trans-3,4-Difluorocinnamic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for trans-3,4-Difluorocinnamic acid
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