Basic information
- CAS
1645565-22-5- Standard SMILES
O=C(O)C1(F)CCC(F)(F)CC1- InChIKey
XBVSHLUDRLTMRJ-UHFFFAOYSA-N- Molecular formula
- C7H9F3O2
- Average molar mass
- 182.14 g/mol
- Monoisotopic mass
- 182.05546401
Names & identifiers
- Preferred name
- 1,4,4-Trifluorocyclohexane-1-carboxylic acid
- IUPAC
- 1,4,4-trifluorocyclohexane-1-carboxylic acid
Names & synonyms
1,4,4-trifluorocyclohexane-1-carboxylic acid1645565-22-5RefChem:415762823-976-71,4,4-Trifluorocyclohexanecarboxylic acidMFCD30750427SCHEMBL28822522VQC56522SY3968591,4,4-trifluorocyclohexane-1-carboxylicacidEN300-381558G52230
Database identifiers
- CAS
1645565-22-5- PubChem CID
- 134690809
- EC Number
- 823-976-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
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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