Basic information
- CAS
24463-87-4- Standard SMILES
ClCCCC#Cc1ccccc1- InChIKey
CNFXMYILAIFDPX-UHFFFAOYSA-N- Molecular formula
- C11H11Cl
- Average molar mass
- 178.66 g/mol
- Monoisotopic mass
- 178.054928
Names & identifiers
- Preferred name
- Benzene, (5-chloro-1-pentynyl)-
- IUPAC
- 5-chloropent-1-ynylbenzene
- English name
- (5-chloro-1-pentyn-1-yl)Benzene
- Molecular formula
- C11H11Cl
- Molecular weight
- 178.66
Names & synonyms
24463-87-4(5-chloropent-1-yn-1-yl)benzeneBenzene, (5-chloro-1-pentynyl)-NSC140353SCHEMBL28885555DTXSID40947344AKOS026731738NSC-140353DA-07749(5-chloro-1-pentyn-1-yl)BenzeneBenzene, (5-chloro-1-pentyn-1-yl)-
Database identifiers
- CAS
24463-87-4- PubChem CID
- 284516
- DTXSID
DTXSID40947344- EC Number
- 884-828-5
- Nikkaji
- J1.526.629E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 125 · 125-127 °C(Press: 4 Torr)
- Density
- 1.0576 g/cm3 · 1.0576 g/cm3
- REACH Registrations
- Active
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 InformationREACH registered substance: 5-chloropent-1-ynylbenzene (EC: 884-828-5)
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers1 total
德拜科技有限公司00852-2521 1836
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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