2-Tert-butyl-5-fluorophenol
Basic information
- CAS
1243363-65-6- Standard SMILES
CC(C)(C)c1ccc(F)cc1O- InChIKey
LIXGHTBFMWLFQF-UHFFFAOYSA-N- Molecular formula
- C10H13FO
- Average molar mass
- 168.21 g/mol
- Monoisotopic mass
- 168.0950432
Names & identifiers
- Preferred name
- 2-Tert-butyl-5-fluorophenol
- IUPAC
- 2-tert-butyl-5-fluorophenol
Names & synonyms
2-TERT-BUTYL-5-FLUOROPHENOL1243363-65-6RefChem:483651962-949-52-(tert-Butyl)-5-fluorophenolSCHEMBL12731992MB21768DB-116901EN300-7833729
Database identifiers
- CAS
1243363-65-6- PubChem CID
- 59458482
- EC Number
- 962-949-5
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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