Basic information
- CAS
71487-12-2- Standard SMILES
ClCCCCCCC#CBr- InChIKey
DKDDZXUBMOUAAD-UHFFFAOYSA-N- Molecular formula
- C8H12BrCl
- Average molar mass
- 223.54 g/mol
- Monoisotopic mass
- 221.98109
Names & identifiers
- Preferred name
- 1-Octyne, 1-bromo-8-chloro-
- IUPAC
- 1-bromo-8-chlorooct-1-yne
- English name
- 1-Bromo-8-chloro-1-octyne
- Molecular formula
- C8H12BrCl
- Molecular weight
- 223.54
Names & synonyms
1-Bromo-8-chloro-1-octyne1-Octyne, 1-bromo-8-chloro-DTXSID4072364RefChem:76791DTXCID004703671487-12-21-bromo-8-chlorooct-1-yneSCHEMBL17965701
Database identifiers
- CAS
71487-12-2- PubChem CID
- 3085482
- DTXSID
DTXSID4072364- Nikkaji
- J73.106D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 253.3 · 253.3±42.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1-Octyne, 1-bromo-8-chloro- (71487-12-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octyne, 1-bromo-8-chloro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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