Basic information
- CAS
2169795-24-6- Standard SMILES
C/C(=C\C(=O)O)C(F)F- InChIKey
YNBKDAZJXBTDFV-NSCUHMNNSA-N- Molecular formula
- C5H6F2O2
- Average molar mass
- 136.1 g/mol
- Monoisotopic mass
- 136.03358575
Names & identifiers
- Preferred name
- (2E)-4,4-difluoro-3-methylbut-2-enoic acid
- IUPAC
- (E)-4,4-difluoro-3-methylbut-2-enoic acid
Names & synonyms
2169795-24-6(2E)-4,4-difluoro-3-methylbut-2-enoic acidRefChem:396588962-910-2(E)-4,4-Difluoro-3-methylbut-2-enoic acid(2E)-4,4-difluoro-3-methylbut-2-enoicacidSCHEMBL15482702YNBKDAZJXBTDFV-NSCUHMNNSA-NEN300-370954
Database identifiers
- CAS
2169795-24-6- PubChem CID
- 89976397
- EC Number
- 962-910-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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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