63458-99-1
Product Name:
1-(3,4-DIMETHYL-PHENYL)-4,4,4-TRIFLUORO-BUTANE-1,3-DIONE
Formula:
C12H11F3O2
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H360:Reproductive toxicity H371:Specific target organ toxicity, single exposure H373:Specific target organ toxicity, repeated exposure H402:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 244.21 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.07111408 g/mol |
| Monoisotopic Mass | 244.07111408 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 309 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |