Basic information
- CAS
1078627-29-8- Standard SMILES
OC1(CC(F)(F)F)CC1- InChIKey
KRVMZDAAXUIYJP-UHFFFAOYSA-N- Molecular formula
- C5H7F3O
- Average molar mass
- 140.1 g/mol
- Monoisotopic mass
- 140.04489933
Names & identifiers
- Preferred name
- 1-(2,2,2-Trifluoroethyl)cyclopropan-1-ol
- IUPAC
- 1-(2,2,2-trifluoroethyl)cyclopropan-1-ol
Names & synonyms
1-(2,2,2-trifluoroethyl)cyclopropan-1-ol1078627-29-8RefChem:420148887-080-81-(2,2,2-trifluoroethyl)cyclopropanol1-trifluoroethylcyclopropanolSCHEMBL3375449AKOS011963949EN300-1939380
Database identifiers
- CAS
1078627-29-8- PubChem CID
- 57445153
- EC Number
- 887-080-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
3 records
Compound notes
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