Basic information
- CAS
16967-79-6- Standard SMILES
ClC1OC1(Cl)Cl- InChIKey
CMMXCVYESRODNH-UHFFFAOYSA-N- Molecular formula
- C2HCl3O
- Average molar mass
- 147.38 g/mol
- Monoisotopic mass
- 145.909298
Overview
Trichloroepoxyethane is an epoxide. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- 2,2,3-Trichlorooxirane
- IUPAC
- 2,2,3-trichlorooxirane
- English name
- trichloroepoxyethane
- Molecular formula
- C2HCl3O
- Molecular weight
- 147.39
Names & synonyms
TrichloroepoxyethaneTrichloroethylene epoxide2,2,3-trichlorooxiraneTrichloro-oxiraneTrichloroethylene oxide1,1,2-Trichloroepoxyethane16967-79-6Epoxy-1,1,2-trichloroethaneTRICHLOROOXIRANEDXK2817N87CHEBI:28888DTXSID80937663
Show more names
TRICHLOROETHYLENEEPOXIDEOxirane, 2,2,3-trichloro-1,2,2-Trichloroepoxyethane
RefChem:191005DTXCID101366220Oxirane, trichloro-TCE epoxideTCEOEthane, trichloroepoxy-UNII-DXK2817N872,2,3-trichloro-oxi-rane
Database identifiers
- CAS
16967-79-6- PubChem CID
- 28167
- DTXSID
DTXSID80937663- ChEBI
CHEBI:28888- UNII
- DXK2817N87
- Nikkaji
- J974.086D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 71.2
Physicochemical properties
- Boiling point
- 201.32 °C · 201.32°C (rough estimate)
- Density
- 1.7597 · 1.7597 (rough estimate)
- refractive index
- 1.4559 · 1.4559 (estimate)
- FDA UNII
- 2817 N87 · DXK2817N87
- EPA Substance Registry System
- Oxirane, trichloro- (16967-79-6)
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Trichloroepoxyethane is an epoxide. It has a role as a mouse metabolite.
Related reactions
1 records
Compound notes
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