3-(Trifluoromethyl)benzoyl chloride
Synonym(s):α,α,α-Trifluoro-m-toluoyl chloride
- CAS NO.：2251-65-2
- Empirical Formula: C8H4ClF3O
- Molecular Weight: 208.57
- MDL number: MFCD00000680
- EINECS: 218-844-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-23 11:10:09
What is 3-(Trifluoromethyl)benzoyl chloride?
Chemical properties
clear light yellow liquid
The Uses of 3-(Trifluoromethyl)benzoyl chloride
3-(Trifluoromethyl)benzoyl chloride has been used in the preparation of intermediates, required for synthesis of C-2 and C-3 substituted pyrazolo[1,5-a]pyrimidines.
Properties of 3-(Trifluoromethyl)benzoyl chloride
| Boiling point: | 184-186 °C/750 mmHg (lit.) |
| Density | 1.383 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| form | Liquid |
| color | Clear light yellow |
| Specific Gravity | 1.383 |
| Water Solubility | decomposes |
| Sensitive | Lachrymatory |
| BRN | 391266 |
| InChI | InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H |
| CAS DataBase Reference | 2251-65-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-(Trifluoromethyl)benzoyl chloride(2251-65-2) |
| EPA Substance Registry System | Benzoyl chloride, 3-(trifluoromethyl)- (2251-65-2) |
Safety information for 3-(Trifluoromethyl)benzoyl chloride
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-(Trifluoromethyl)benzoyl chloride
| InChIKey | RUJYJCANMOTJMO-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=CC=CC(C(F)(F)F)=C1 |
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