Basic information
- CAS
66675-32-9- Standard SMILES
CCC(Cl)C(Cl)Cl- InChIKey
QTGPHUZCDZCBGZ-UHFFFAOYSA-N- Molecular formula
- C4H7Cl3
- Average molar mass
- 161.45 g/mol
- Monoisotopic mass
- 159.961333
Names & identifiers
- Preferred name
- 1,1,2-Trichlorobutane
- IUPAC
- 1,1,2-trichlorobutane
- English name
- 1,1,2-Trichlorobutane
- Molecular weight
- 0
Names & synonyms
1,1,2-TrichlorobutaneDTXSID5060073166675-32-9RefChem:213232DTXCID80551489SCHEMBL747985SCHEMBL888105SCHEMBL10456884QTGPHUZCDZCBGZ-UHFFFAOYSA-N
Database identifiers
- CAS
66675-32-9- PubChem CID
- 19865249
- DTXSID
DTXSID50600731- Nikkaji
- J87.956H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 44.2
Physicochemical properties
- Melting point
- -6 °C · -6°C (estimate)
- Boiling point
- 151.13 °C · 151.13°C (estimate)
- Density
- 1.2667 · 1.2667 (estimate)
- refractive index
- 1.4629 · 1.4629 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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