Basic information
- CAS
41601-58-5- Standard SMILES
ClC=CC(Cl)CCl- InChIKey
RQGXZVBGPDPESM-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3
- Average molar mass
- 159.44 g/mol
- Monoisotopic mass
- 157.945683
Names & identifiers
- Preferred name
- 1,3,4-Trichlorobut-1-ene
- IUPAC
- 1,3,4-trichlorobut-1-ene
- English name
- 1,3,4-Trichloro-1-butene
- Molecular formula
- C4H5Cl3
- Molecular weight
- 159.44
Names & synonyms
41601-58-51,3,4-Trichlorobut-1-ene1,3,4-Trichloro-1-buteneSCHEMBL2495338DTXSID50702486RQGXZVBGPDPESM-UHFFFAOYSA-N
Database identifiers
- CAS
41601-58-5- PubChem CID
- 53440331
- DTXSID
DTXSID50702486
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 60
Physicochemical properties
- Boiling point
- 49 · 49-50 °C(Press: 9 Torr)
- Density
- 1.3345 g/cm³ · 1.3345 g/cm³
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…