2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-
Basic information
- CAS
68239-28-1- Standard SMILES
O=C1C(Cl)=C(N2CCOCC2)C1(Cl)Cl- InChIKey
YKTVEZMNYLQTDA-UHFFFAOYSA-N- Molecular formula
- C8H8Cl3NO2
- Average molar mass
- 256.5 g/mol
- Monoisotopic mass
- 254.962062
Names & identifiers
- Preferred name
- 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-
- IUPAC
- 2,4,4-trichloro-3-morpholin-4-ylcyclobut-2-en-1-one
- English name
- 2,4,4-trichloro-3-(morpholin-4-yl)-2-cyclobuten-1-one
- Molecular formula
- C8H8Cl3NO2
- Molecular weight
- 256.51
Names & synonyms
68239-28-1EINECS 269-441-62-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-3-(4-Morpholino)-2,2,4-trichloro-3-cyclobuten-1-oneDTXSID6071324RefChem:470770DTXCID30457742,4,4-Trichloro-3-(morpholin-4-yl)-2-cyclobuten-1-oneSCHEMBL11617653YKTVEZMNYLQTDA-UHFFFAOYSA-N2,4,4-TRICHLORO-3-(MORPHOLIN-4-YL)CYCLOBUT-2-EN-1-ONENS00036509
Show more names
2,4,4-Trichloro-3-(4-morpholinyl)-2-cyclobuten-1-one
Database identifiers
- CAS
68239-28-1- PubChem CID
- 109901
- DTXSID
DTXSID6071324- EC Number
- 269-441-6
- Nikkaji
- J289.082H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 102.5 °C · 102.5 °C
- Boiling point
- 299.8 · 299.8±40.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- -6.67 · -6.67±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)- (68239-28-1)
- 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 Information2-Cyclobuten-1-one, 2,4,4-trichloro-3-(4-morpholinyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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