Basic information
- CAS
114095-75-9- Standard SMILES
C=CCC(O)c1cccc(C(F)(F)F)c1- InChIKey
ITTIGOPRDIDCRE-UHFFFAOYSA-N- Molecular formula
- C11H11F3O
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.07619946
Names & identifiers
- Preferred name
- 1-[3-(Trifluoromethyl)phenyl]but-3-en-1-ol
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]but-3-en-1-ol
Names & synonyms
1-(3-(trifluoromethyl)phenyl)but-3-en-1-ol114095-75-91-[3-(trifluoromethyl)phenyl]but-3-en-1-olRefChem:423227999-474-81-(m-(trifluoromethyl)phenyl)-3-buten-1-olAKOS010638333CS-0247885EN300-375858
Database identifiers
- CAS
114095-75-9- PubChem CID
- 11615453
- EC Number
- 999-474-8
- Nikkaji
- J1.455.013E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
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, P317, 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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