2-Ethoxy-1,1,1-trifluoroethane
Basic information
- CAS
461-24-5- Standard SMILES
CCOCC(F)(F)F- InChIKey
ZKNHDJMXIUOHLX-UHFFFAOYSA-N- Molecular formula
- C4H7F3O
- Average molar mass
- 128.09 g/mol
- Monoisotopic mass
- 128.04489933
Names & identifiers
- Preferred name
- 2-Ethoxy-1,1,1-trifluoroethane
- IUPAC
- 2-ethoxy-1,1,1-trifluoroethane
- English name
- 2,2,2-trifluoroethyl ethyl ether
- Molecular formula
- C4H7F3O
- Molecular weight
- 0
Names & synonyms
2-Ethoxy-1,1,1-trifluoroethane2,2,2-Trifluoroethyl ethyl ether461-24-5DTXSID00196715RefChem:80805DTXCID40119206888-471-6ETHER, ETHYL 2,2,2-TRIFLUOROETHYLTFEEEthane, 2-ethoxy-1,1,1-trifluoro-BRN 1736067CF3CH2OC2H5
Show more names
1,1,1-trifluoroethyl ethyl ether
SCHEMBL385163-01-00-01342 (Beilstein Handbook Reference)SCHEMBL128361SCHEMBL128362SCHEMBL600843AWGYCINZKCTHHR-UHFFFAOYSA-NRZATZTZKRURDIM-UHFFFAOYSA-NZKNHDJMXIUOHLX-UHFFFAOYSA-N
Database identifiers
- CAS
461-24-5- PubChem CID
- 10003
- DTXSID
DTXSID00196715- EC Number
- 888-471-6
- Nikkaji
- J1.794.739G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 58.8
Physicochemical properties
- Henry's Law Constant
- 7.2 · 7.2×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Comptox DTXSID
- 196715 · DTXSID00196715
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in rat: 5100mg/kg
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
H225 (100%): Highly Flammable liquid and vapor [Danger 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. 2 (100%)
Safety data
- Toxicity
- LD50 intraperitoneal in rat: 5100mg/kg
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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