3-Methoxy-2-(trifluoromethyl)benzoic acid
Basic information
- CAS
1214384-93-6- Standard SMILES
COc1cccc(C(=O)O)c1C(F)(F)F- InChIKey
UOBKAUNYVVOXMY-UHFFFAOYSA-N- Molecular formula
- C9H7F3O3
- Average molar mass
- 220.14 g/mol
- Monoisotopic mass
- 220.03472857
Names & identifiers
- Preferred name
- 3-Methoxy-2-(trifluoromethyl)benzoic acid
- IUPAC
- 3-methoxy-2-(trifluoromethyl)benzoic acid
- English name
- 3-Methoxy-2-(trifluoroMethyl)benzoic acid
- Molecular formula
- C9H7F3O3
- Molecular weight
- 220.15
Names & synonyms
3-Methoxy-2-(trifluoromethyl)benzoic acid1214384-93-6Benzoic acid, 3-methoxy-2-(trifluoromethyl)-MFCD13185681SCHEMBL23748723UOBKAUNYVVOXMY-UHFFFAOYSA-NAKOS025402841JS-50033-Methoxy-2-(trifluoromethyl)benzoicacidDB-094314CS-03247843-Methoxy-2-(trifluoromethyl)benzoicacid,97%
Database identifiers
- CAS
1214384-93-6- PubChem CID
- 73012640
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 161 · 161-164℃
- form
- Crystalline
- color
- Pale cream
- CAS DataBase Reference
- 1214384 · 1214384-93-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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Related reactions
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Compound notes
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