Basic information
- CAS
20757-87-3- Standard SMILES
C=CC(=O)CCCl- InChIKey
XLFDSXRUZDTNER-UHFFFAOYSA-N- Molecular formula
- C5H7ClO
- Average molar mass
- 118.56 g/mol
- Monoisotopic mass
- 118.0185425
Names & identifiers
- Preferred name
- 1-Penten-3-one, 5-chloro-
- IUPAC
- 5-chloropent-1-en-3-one
- English name
- 5-chloropent-1-en-3-one
- Molecular formula
- C5H7ClO
- Molecular weight
- 118.56
Names & synonyms
20757-87-31-Penten-3-one, 5-chloro-beta-Chloroethyl vinyl ketoneEINECS 244-011-0DTXSID1066651RefChem:435408DTXCID70363775-Chloropent-1-en-3-onechloromethylbutenoneSCHEMBL2132930XLFDSXRUZDTNER-UHFFFAOYSA-NAKOS006383240
Show more names
5-Chloro-1-penten-3-one
NS00026729
Database identifiers
- CAS
20757-87-3- PubChem CID
- 88682
- DTXSID
DTXSID1066651- EC Number
- 244-011-0
- Nikkaji
- J225.325I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 78.1
Physicochemical properties
- Boiling point
- 168.2 · 168.2±23.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1-Penten-3-one, 5-chloro- (20757-87-3)
- 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-Penten-3-one, 5-chloro-: INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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