Basic information
- CAS
239085-88-2- Standard SMILES
CCOC(=O)/C(C#N)=C/Nc1cc(F)ccc1F- InChIKey
WEYNZBYZZUOMCZ-BQYQJAHWSA-N- Molecular formula
- C12H10F2N2O2
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.07103389
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-((2,5-difluorophenyl)amino)prop-2-enoate
- IUPAC
- ethyl (E)-2-cyano-3-(2,5-difluoroanilino)prop-2-enoate
Names & synonyms
ethyl 2-cyano-3-[(2,5-difluorophenyl)amino]prop-2-enoate239085-88-2Ethyl 2-cyano-3-((2,5-difluorophenyl)amino)prop-2-enoateRefChem:594320102-846-7ethyl (E)-2-cyano-3-(2,5-difluoroanilino)prop-2-enoateethyl (2Z)-2-cyano-3-[(2,5-difluorophenyl)amino]prop-2-enoateEN300-49748G34092Z115490236ethyl2-cyano-3-[(2,5-difluorophenyl)amino]prop-2-enoate
Database identifiers
- CAS
239085-88-2- PubChem CID
- 2800568
- EC Number
- 102-846-7
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
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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