3,4,5,6-Tetrafluorosalicylic Acid
Basic information
- CAS
14742-36-0- Standard SMILES
O=C(O)c1c(O)c(F)c(F)c(F)c1F- InChIKey
WKYGDMSOKGXAAY-UHFFFAOYSA-N- Molecular formula
- C7H2F4O3
- Average molar mass
- 210.08 g/mol
- Monoisotopic mass
- 209.99400657
Names & identifiers
- Preferred name
- 3,4,5,6-Tetrafluorosalicylic Acid
- IUPAC
- 2,3,4,5-tetrafluoro-6-hydroxybenzoic acid
- English name
- 3,4,5,6-Tetrafluoro-2-hydroxybenzoic acid
- Molecular formula
- C7H2F4O3
- Molecular weight
- 210.08
Names & synonyms
14742-36-03,4,5,6-Tetrafluorosalicylic AcidDTXSID70452153RefChem:270528DTXCID30402972678-518-72,3,4,5-tetrafluoro-6-hydroxybenzoic acid3,4,5,6-Tetrafluoro-2-hydroxybenzoic AcidBenzoic acid, 2,3,4,5-tetrafluoro-6-hydroxy-MFCD00483242Tetrafluorosalicylic acid2,3,4,5-tetrafluoro-6-hydroxy-benzoic Acid
Show more names
SCHEMBL1899129CHEMBL3793496AKOS015909285PS-10082SY0536322,3,4,5-tetrafluoro-6-hydroxybenzoicacidDB-008827CS-0315152
Database identifiers
- CAS
14742-36-0- PubChem CID
- 11020133
- DTXSID
DTXSID70452153- ChEMBL
CHEMBL3793496- EC Number
- 678-518-7
- Nikkaji
- J759.839D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 173 °C · 173 °C
- Boiling point
- 282.1 · 282.1±40.0 °C(Predicted)
- Density
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- pka
- 1.53 · 1.53±0.28(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 36 · 36/37/39
- HS Code
- 2918290090 · 2918290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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