Basic information
- CAS
18338-40-4- Standard SMILES
CC(Cl)C(Cl)CCl- InChIKey
RMZZAEDPBSKZOM-UHFFFAOYSA-N- Molecular formula
- C4H7Cl3
- Average molar mass
- 161.45 g/mol
- Monoisotopic mass
- 159.96133326
Names & identifiers
- Preferred name
- 1,2,3-Trichlorobutane
- IUPAC
- 1,2,3-trichlorobutane
- English name
- 1,2,3-Trichlorobutane.
- Molecular formula
- C4H7Cl3
- Molecular weight
- 161.46
Names & synonyms
1,2,3-Trichlorobutane18338-40-4BUTANE, 1,2,3-TRICHLORO-BRN 1733310DTXSID308712803-01-00-00285 (Beilstein Handbook Reference)RefChem:410841DTXCID108189511,2,3-trichloro-butane1,2,3-Trichlorobutane.SCHEMBL246604SCHEMBL1398526
Show more names
SCHEMBL7845597SCHEMBL11049787RMZZAEDPBSKZOM-UHFFFAOYSA-NAKOS006385274
Database identifiers
- CAS
18338-40-4- PubChem CID
- 29031
- DTXSID
DTXSID30871280- Nikkaji
- J55.294A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 46.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -6 °C · -6°C (estimate)
- Boiling point
- 166 °C · 166°C
- Density
- 1.3146 · 1.3146
- refractive index
- 1.477 · 1.4770
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butane, 1,2,3-trichloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…