Basic information
- CAS
2243522-03-2- Standard SMILES
CCOC(=O)/C(F)=C/CN.O=C(O)C(F)(F)F- InChIKey
XRIJFZKSAJIILV-FBZPGIPVSA-N- Molecular formula
- C8H11F4NO4
- Average molar mass
- 261.17 g/mol
- Monoisotopic mass
- 261.06242048
Names & identifiers
- Preferred name
- Ethyl 4-amino-2-fluorobut-2-enoate; trifluoroacetic acid
- IUPAC
- ethyl (Z)-4-amino-2-fluorobut-2-enoate;2,2,2-trifluoroacetic acid
Names & synonyms
2243522-03-2ethyl 4-amino-2-fluorobut-2-enoate; trifluoroacetic acidEthyl (Z)-4-amino-2-fluorobut-2-enoate;2,2,2-trifluoroacetic acidethyl4-amino-2-fluorobut-2-enoate,trifluoroaceticacidEN300-6487161
Database identifiers
- CAS
2243522-03-2- PubChem CID
- 138040887
- EC Number
- 184-611-9
Properties
Computed structural properties
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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