Basic information
- CAS
1780332-32-2- Standard SMILES
CC(F)(F)c1cccc(C(=O)O)c1F- InChIKey
CFNGUFZOAQLPPJ-UHFFFAOYSA-N- Molecular formula
- C9H7F3O2
- Average molar mass
- 204.15 g/mol
- Monoisotopic mass
- 204.03981395
Names & identifiers
- Preferred name
- 3-(1,1-Difluoroethyl)-2-fluorobenzoic acid
- IUPAC
- 3-(1,1-difluoroethyl)-2-fluorobenzoic acid
Names & synonyms
1780332-32-23-(1,1-difluoroethyl)-2-fluorobenzoic acidRefChem:489150988-943-23-(1,1-difluoroethyl)-2-fluorobenzoicacidEN300-19523017
Database identifiers
- CAS
1780332-32-2- PubChem CID
- 84672012
- EC Number
- 988-943-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
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, 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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