HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3,5,6-Tetrafluorobenzyl alcohol
(2,3,5,6-TETRAFLUORO-PHENYL)-METHANOL · 2,3,5,6-Tetraf · RARECHEM AL BD 0417 · 2,3,5,6-Tetrafluoro Benzyl · Tetrafluoro Benzyl Alcohol · 2,3,5,6-tetrafluorobenzylol · 2,3,5,6-TETRAFLUOROBENYL ALCOHOL · 2,3,5,6-TETRAFLUOROBENZYL ALCOHOL
Identifiers & Physical Properties
| CAS No. | 4084-38-2 |
|---|---|
| Molecular formula | C7H4F4O |
| Average molar mass | 180.1 g/mol |
| Monoisotopic mass | 180.0198274 g/mol |
| SMILES | OCc1c(F)c(F)cc(F)c1F |
| InChIKey | AGWVQASYTKCTCC-UHFFFAOYSA-N |
| PubChem CID | 2734029 |
| EC No. | 443-840-7 |
| DTXSID | DTXSID20370090 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 140 |
| Melting point | 32-38 °C |
| Boiling point | 220-225 °C |
| Density | 1.499 |
| Flash point | 62 °C |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | powder to lump to clear liquid |
| pKa (acidity coefficient) | 12.94±0.10(Predicted) |
| Color | White or Colorless to Light yellow |
| CAS DataBase Reference | 4084-38-2(CAS DataBase Reference) |
| GHS pictogram | GHS06 |
| Signal word | Warning |
| GHS hazard statements | H301-H317-H319 |
| GHS precautionary statements | P261-P280a-P301+P310a-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 37/39-26 |
| Hazard class | IRRITANT |
| Customs code | 2906290090 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]H317: May cause an allergic skin reaction [Warning Sensitization, Skin]H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement) |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98.2%)Skin Sens. 1 (98.2%)Eye Irrit. 2 (100%)Acute Tox. 4 (100%)Skin Sens. 1 (100%)Eye Irrit. 2A (75%)Acute toxicity - category 4Eye irritation - category 2Skin sensitisation - category 1Acute Tox. 4 * |
| Customs code | 2906290090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS06 |
| Hazard symbols | Xi |
| Safety statements (S) | 37/39-26 |
| Hazard class | IRRITANT |
| GHS hazard statements | H301-H317-H319 |
| REACH registrations | Active |
| GHS precautionary statements | P261-P280a-P301+P310a-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2,3,5,6-Tetrafluorobenzyl alcohol is an intermediate in the sanitary insecticide tetrafluorobenzyl ester.