HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methoxy-4-(trifluoromethyl)benzoic acid
RARECHEM AL BO 0994 · 2-Methoxy-4-(trifluoromethyl)benzoic acid · 2-Methoxy-4-(trifluoromethyl)benzoicacid,97% · Benzoic acid, 2-methoxy-4-(trifluoromethyl)- · 2-Carboxy-5-(trifluoromethyl)anisole, 4-Carboxy-3-methoxybenzotrifluoride, 4-(Trifluoromethyl)-o-anisic acid
Identifiers & Physical Properties
| CAS No. | 448-36-2 |
|---|---|
| Molecular formula | C9H7F3O3 |
| Average molar mass | 220.14 g/mol |
| Monoisotopic mass | 220.03472874 g/mol |
| SMILES | COc1cc(C(F)(F)F)ccc1C(=O)O |
| InChIKey | QWRIRBUKLBWVNF-UHFFFAOYSA-N |
| PubChem CID | 3690873 |
| EC No. | 825-368-7 |
| DTXSID | DTXSID00395100 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 239 |
| Melting point | 125-130℃ |
| Storage conditions | Store at room temperature |
| Appearance | Off-white to light yellow Solid |
| Solubility | Slightly soluble in water. |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Customs code | 2916399090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 | Skin Irrit. 2 (100%) |
| Customs code | 2916399090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2-Methoxy-4-(trifluoromethyl)benzoic acid is used as a synthetic building block.