2-(2,5-Difluorophenyl)-2-hydroxyacetonitrile
Basic information
- CAS
1155082-23-7- Standard SMILES
N#CC(O)c1cc(F)ccc1F- InChIKey
TYDCXXJFXNZRRL-UHFFFAOYSA-N- Molecular formula
- C8H5F2NO
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.03392011
Names & identifiers
- Preferred name
- 2-(2,5-Difluorophenyl)-2-hydroxyacetonitrile
- IUPAC
- 2-(2,5-difluorophenyl)-2-hydroxyacetonitrile
Names & synonyms
2-(2,5-difluorophenyl)-2-hydroxyacetonitrile1155082-23-7RefChem:452061860-478-9(2,5-difluorophenyl)(hydroxy)acetonitrileMFCD12169396FWB08223AKOS009469062BS-12178EN300-674992-(2,5-difluorophenyl)-2-hydroxy-acetonitrileG43760
Database identifiers
- CAS
1155082-23-7- PubChem CID
- 43436633
- EC Number
- 860-478-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
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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