HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2-Fluorophenyl)ethan-1-ol
2-Fluorobenzeneethanol · 2-(2-fluorophenyl)ethanol · 2-(O-FLUOROPHENYL)ETHANOL · Benzeneethanol, 2-fluoro- · 2-Fluorophenethyl alcohol · 2-fluoro-2-phenylethan-1-ol · 2-(2-Fluorophenyl)ethan-1-ol · 2-(2-Fluorophenyl)ethanol>2-Fluorophenethyl alcohol,99%
Identifiers & Physical Properties
| CAS No. | 50919-06-7 |
|---|---|
| Molecular formula | C8H9FO |
| Average molar mass | 140.15 g/mol |
| Monoisotopic mass | 140.06374313 g/mol |
| SMILES | OCCc1ccccc1F |
| InChIKey | HNIGZVZDWCTFPR-UHFFFAOYSA-N |
| PubChem CID | 2733296 |
| EC No. | 670-569-3 |
| DTXSID | DTXSID50369831 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 95.3 |
| Boiling point | 72°C 1mm |
| Density | 1.045 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.509(lit.) |
| Flash point | 209 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 14.68±0.10(Predicted) |
| Physical state | Liquid |
| Specific gravity | 1.045 |
| Color | Clear colorless |
| InChI | InChI=1S/C8H9FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2 |
| InChIKey | HNIGZVZDWCTFPR-UHFFFAOYSA-N |
| SMILES | C1(CCO)=CC=CC=C1F |
| CAS DataBase Reference | 50919-06-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Hazard symbols | Xn,Xi,C |
| Risk statements (R) | 36/37/38-21/22-34 |
| Safety statements (S) | 36/37/39-26-45-27-37-23 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29062990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29062990 |
| Risk statements (R) | 36/37/38-21/22-34 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi,C |
| Safety statements (S) | 36/37/39-26-45-27-37-23 |
| Hazard class | IRRITANT |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2-(2-Fluorophenyl)ethanol is a useful synthetic intermediate. It is used to prepare phenethyl ester derivative analogs of the C-terminal tetrapeptide of gastrin as potent gastrin antagonists.