Basic information
- Standard SMILES
C#Cc1cc(C#N)c(C(F)(F)F)cc1N- InChIKey
NJYGHOFVSRBGLX-UHFFFAOYSA-N- Molecular formula
- C10H5F3N2
- Average molar mass
- 210.15 g/mol
Names & identifiers
- Preferred name
- 4-Amino-5-ethynyl-2-(trifluoromethyl)benzenecarbonitrile
- IUPAC
- 4-amino-5-ethynyl-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-amino-5-ethynyl-2-(trifluoromethyl)benzenecarbonitrileRefChem:517948937-371-1949513-12-64-amino-5-ethynyl-2-(trifluoromethyl)benzonitrileMFCD209215724-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile4-amino-5-ethynyl-2-trifluoromethyl-benzonitrileSCHEMBL204399AKOS015991452GD-0076
Database identifiers
- PubChem CID
- 66545172
- EC Number
- 937-371-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 330
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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
4 records
Compound notes
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