1-Butene, 1,1,2-trichloro-
Basic information
- CAS
42860-89-9- Standard SMILES
CCC(Cl)=C(Cl)Cl- InChIKey
MPQPMSJLSQSQQB-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3
- Average molar mass
- 159.44 g/mol
- Monoisotopic mass
- 157.945683
Names & identifiers
- Preferred name
- 1-Butene, 1,1,2-trichloro-
- IUPAC
- 1,1,2-trichlorobut-1-ene
- English name
- 1,1,2-Trichloro-1-butene
- Molecular formula
- C4H5Cl3
- Molecular weight
- 159.44
Names & synonyms
Ethyltrichloroethylene1-Butene, 1,1,2-trichloro-1,1,2-Trichlorobutene-142860-89-9DTXSID00195541RefChem:75236DTXCID40118032MPQPMSJLSQSQQB-UHFFFAOYSA-N1,1,2-trichlorobut-1-eneTrichlorbutenSCHEMBL2495335SCHEMBL6991415
Show more names
1,1,2-Trichloro-1-butene
SCHEMBL114701471,1,2-Trichloro-1-butene #
Database identifiers
- CAS
42860-89-9- PubChem CID
- 206103
- DTXSID
DTXSID00195541- Nikkaji
- J88.055H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 80.9
Physicochemical properties
- Boiling point
- 147.2 · 147.2±20.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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