5,9-Hexadecadiyne, 16-chloro-
Basic information
- CAS
58444-07-8- Standard SMILES
CCCCC#CCCC#CCCCCCCCl- InChIKey
KALOSERCJZNJMW-UHFFFAOYSA-N- Molecular formula
- C16H25Cl
- Average molar mass
- 252.82 g/mol
- Monoisotopic mass
- 252.1644785
Names & identifiers
- Preferred name
- 5,9-Hexadecadiyne, 16-chloro-
- IUPAC
- 16-chlorohexadeca-5,9-diyne
- English name
- 16-chlorohexadeca-5,9-diyne
- Molecular formula
- C16H25Cl
- Molecular weight
- 252.82
Names & synonyms
58444-07-85,9-Hexadecadiyne, 16-chloro-16-Chloro-5,9-hexadecadiyneEINECS 261-255-3DTXSID0069250RefChem:101481DTXCID904238616-Chlorohexadeca-5,9-diyne4RGV3VL3B3KALOSERCJZNJMW-UHFFFAOYSA-NDB-226156NS00033926
Database identifiers
- CAS
58444-07-8- PubChem CID
- 94048
- DTXSID
DTXSID0069250- UNII
- 4RGV3VL3B3
- EC Number
- 261-255-3
- Nikkaji
- J296.939D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- EPA Substance Registry System
- 5 · 5,9-Hexadecadiyne, 16-chloro- (58444-07-8)
- 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 Information5,9-Hexadecadiyne, 16-chloro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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