HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 79512438Generated: November 1, 2026
2-Fluoro-6-isopropoxybenzoic acid
2-Fluoro-6-isopropoxybenzoic acid · Benzoic acid, 2-fluoro-6-(1-methylethoxy)-
https://huagongshe.com/en/chemical/79512438
Identifiers & Physical Properties
| CAS No. | 1369879-25-3 |
|---|
| Molecular formula | C10H11FO3 |
|---|
| Average molar mass | 198.19 g/mol |
|---|
| Monoisotopic mass | 198.06922237 g/mol |
|---|
| SMILES | CC(C)Oc1cccc(F)c1C(=O)O |
|---|
| InChIKey | KHMWBBKORQRKHW-UHFFFAOYSA-N |
|---|
| PubChem CID | 79512438 |
|---|
| EC No. | 184-237-6 |
|---|
Chemical & Physical Properties
| XLogP | 2.3 |
|---|
| Topological polar surface area | 46.5 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 4 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 14 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 206 |
|---|
| Boiling point | 282.4±20.0 °C(Predicted) |
|---|
| Density | 1.211±0.06 g/cm3(Predicted) |
|---|
| pKa (acidity coefficient) | 3.31±0.10(Predicted) |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
