3-(2,2,2-Trifluoroethoxy)propanal
Basic information
- CAS
1340464-83-6- Standard SMILES
O=CCCOCC(F)(F)F- InChIKey
NGRXQGNQOCTQSZ-UHFFFAOYSA-N- Molecular formula
- C5H7F3O2
- Average molar mass
- 156.1 g/mol
- Monoisotopic mass
- 156.03981395
Names & identifiers
- Preferred name
- 3-(2,2,2-Trifluoroethoxy)propanal
- IUPAC
- 3-(2,2,2-trifluoroethoxy)propanal
Names & synonyms
3-(2,2,2-trifluoroethoxy)propanal1340464-83-6RefChem:489865989-713-4SCHEMBL15332022SCHEMBL22361844NGRXQGNQOCTQSZ-UHFFFAOYSA-NAKOS012341288EN300-1725391
Database identifiers
- CAS
1340464-83-6- PubChem CID
- 57052546
- EC Number
- 989-713-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.6
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
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Related reactions
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Compound notes
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