2,3,5,6-Tetrafluoro-4-methoxybenzoic acid
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Basic information
- CAS
3153-01-3- Standard SMILES
COc1c(F)c(F)c(C(=O)O)c(F)c1F- InChIKey
MWSDDXXQRTVVDO-UHFFFAOYSA-N- Molecular formula
- C8H4F4O3
- Average molar mass
- 224.11 g/mol
- Monoisotopic mass
- 224.00965663
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrafluoro-4-methoxybenzoic acid
- IUPAC
- 2,3,5,6-tetrafluoro-4-methoxybenzoic acid
- English name
- 2,3,5,6-TETRAFLUORO-4-METHOXYBENZOIC ACID
- Molecular formula
- C8H4F4O3
- Molecular weight
- 224.11
Names & synonyms
2,3,5,6-tetrafluoro-4-methoxybenzoic acid3153-01-34-Methoxy-2,3,5,6-tetrafluorobenzoic acidMFCD00129961Benzoic acid, 2,3,5,6-tetrafluoro-4-methoxy-SCHEMBL5702926SCHEMBL5702932DTXSID60359223SBB013305STK141095AKOS000297025FS-5530
Show more names
SY0651512,3,5,6-tetrafluoro-4-methoxybenzoicacidST41195282,3,5,6-tetrafluoro-4-methoxy-benzoic acidG73000F038289F9994-0677
Database identifiers
- CAS
3153-01-3- PubChem CID
- 952397
- DTXSID
DTXSID60359223- Nikkaji
- J3.160.957G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 122 · 122-124°
- storage temp.
- Store at room temperature
- form
- crystals
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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