Basic information
- CAS
588-25-0- Standard SMILES
O=C(O)CCCc1ccc(O)c(F)c1- InChIKey
UKBRLKIGCWRGBH-UHFFFAOYSA-N- Molecular formula
- C10H11FO3
- Average molar mass
- 198.19 g/mol
- Monoisotopic mass
- 198.06922237
Names & identifiers
- Preferred name
- 4-(3-Fluoro-4-hydroxyphenyl)butyric acid
- IUPAC
- 4-(3-fluoro-4-hydroxyphenyl)butanoic acid
Names & synonyms
588-25-04-(3-Fluoro-4-hydroxyphenyl)butyric acidEINECS 209-614-5DTXSID30207525RefChem:513194DTXCID80130016209-614-54-(3-fluoro-4-hydroxyphenyl)butanoic acidSCHEMBL7813938UKBRLKIGCWRGBH-UHFFFAOYSA-NAKOS0062741724-(3-fluoro-4-hydroxyphenyl)butanoicacid
Show more names
4-(3-fluoro-4-hydroxy-phenyl)butanoic acidCS-0236723NS00043618EN300-172441
Database identifiers
- CAS
588-25-0- PubChem CID
- 68520
- DTXSID
DTXSID30207525- EC Number
- 209-614-5
- Nikkaji
- J188.455G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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
H302 (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 information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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