771-61-9
Product Name:
Pentafluorophenol
Formula:
C6HF5O
Synonyms:
2,3,4,5,6-Pentafluorophenol;Pentafluorophenol
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White crystalline solid with an odor of phenol; mp = 32-36 deg C; [Alfa Aesar MSDS] |
|---|---|
| Ionization Efficiency | Negative |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 184.06 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 183.99475546 g/mol |
| Monoisotopic Mass | 183.99475546 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 150 |
| 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 |