5-Nonanone, 4-chloro-
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Basic information
- CAS
61295-53-2- Standard SMILES
CCCCC(=O)C(Cl)CCC- InChIKey
CFVIJVUBUBDCKO-UHFFFAOYSA-N- Molecular formula
- C9H17ClO
- Average molar mass
- 176.68 g/mol
- Monoisotopic mass
- 176.0967929
Names & identifiers
- Preferred name
- 5-Nonanone, 4-chloro-
- IUPAC
- 4-chlorononan-5-one
- English name
- 4-chlorononan-5-one
- Molecular formula
- C9H17ClO
- Molecular weight
- 176.68
Names & synonyms
5-Nonanone, 4-chloro-4-Chloro-5-nonanone61295-53-2EINECS 262-694-3DTXSID70886434RefChem:103284DTXCID9010257634-Chlorononan-5-oneSCHEMBL11658570CFVIJVUBUBDCKO-UHFFFAOYSA-NDB-305897NS00052948
Database identifiers
- CAS
61295-53-2- PubChem CID
- 108545
- DTXSID
DTXSID70886434- EC Number
- 262-694-3
- Nikkaji
- J268.433K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 210.7 · 210.7±8.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 5 · 5-Nonanone, 4-chloro- (61295-53-2)
- 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.
Hazard information
Regulatory InformationChemical: 5-Nonanone, 4-chloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Nonanone, 4-chloro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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