2,2,2-Trichloro-1-morpholin-4-ylethanone
Basic information
- CAS
13306-60-0- Standard SMILES
O=C(N1CCOCC1)C(Cl)(Cl)Cl- InChIKey
GDPGGCADYVWIBK-UHFFFAOYSA-N- Molecular formula
- C6H8Cl3NO2
- Average molar mass
- 232.5 g/mol
- Monoisotopic mass
- 230.962062
Overview
See also: N-(2,2,2-Trichloroacetyl)morpholine (annotation moved to).
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-morpholin-4-ylethanone
- IUPAC
- 2,2,2-trichloro-1-morpholin-4-ylethanone
- English name
- 2,2,2-trichloro-1-morpholinoethan-1-one
- Molecular formula
- C6H8Cl3NO2
- Molecular weight
- 232.49
Names & synonyms
13306-60-02,2,2-trichloro-1-morpholinoethan-1-one2,2,2-trichloro-1-(morpholin-4-yl)ethan-1-oneTrichloroacetic acid, morpholide2,2,2-Trichloro-1-morpholinoethanone2,2,2-trichloro-1-morpholin-4-ylethanoneEthanone, 2,2,2-trichloro-1-(4-morpholinyl)-NSC21056trichloroacetylmorpholineMaybridge1_003682N-trichloroacetylmorpholine4-(trichloroacetyl)morpholine
Show more names
N-(trichloroacetyl)morpholineN-(2,2,2-TRICHLOROACETYL)MORPHOLINE
SCHEMBL7320162HMS551P08DTXSID30927918CCG-45825NSC-21056AKOS0038483642,2,2-Trichloro-1-(4-morpholinyl)ethanoneSR-01000635571-1
Database identifiers
- CAS
13306-60-0- PubChem CID
- 228280
- DTXSID
DTXSID30927918- Nikkaji
- J1.883.201A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 80 · 80-81 °C
- Boiling point
- 285.4 · 285.4±40.0 °C(Predicted)
- Density
- 1.509 · 1.509±0.06 g/cm3(Predicted)
- pka
- -1.83 · -1.83±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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