Basic information
- CAS
127952-85-6- Standard SMILES
N#CC(O)c1ccccc1C(F)(F)F- InChIKey
OSAIACORWOTGTJ-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO
- Average molar mass
- 201.14 g/mol
- Monoisotopic mass
- 201.0401483
Names & identifiers
- Preferred name
- 2-Hydroxy-2-(2-(trifluoromethyl)phenyl)acetonitrile
- IUPAC
- 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile
Names & synonyms
127952-85-62-Hydroxy-2-(2-(trifluoromethyl)phenyl)acetonitrile2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrileRefChem:473044978-572-4
Database identifiers
- CAS
127952-85-6- PubChem CID
- 43436588
- EC Number
- 978-572-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
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
Loading…