4-(Trifluoroacetyl)morpholine

HCID 544636

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Basic information

CAS: 360-95-2
Standard SMILES: O=C(N1CCOCC1)C(F)(F)F
InChIKey: UTPCRKXZUFAUIB-UHFFFAOYSA-N
Molecular formula: C6H8F3NO2
Average molar mass: 183.13 g/mol
Monoisotopic mass: 183.05071316

Names & identifiers

Preferred name: 4-(Trifluoroacetyl)morpholine
IUPAC: 2,2,2-trifluoro-1-morpholin-4-ylethanone
English name: 4-(Trifluoroacetyl)morpholine
Molecular formula: C6H8F3NO2
Molecular weight: 183.13

Names & synonyms

4-(Trifluoroacetyl)morpholine360-95-2DTXSID30337775RefChem:1070198DTXCID602888622,2,2-Trifluoro-1-morpholinoethanoneN-TrifluoroacetylmorpholineMorpholine, 4-(trifluoroacetyl)-MFCD004654612,2,2-trifluoro-1-(morpholin-4-yl)ethan-1-one2,2,2-Trifluoro-1-morpholinoethan-1-one2,2,2-trifluoro-1-morpholin-4-ylethanone

Show more names

4-(TRIFLUOROACETYL)MORPHOLINE 97%2,2,2-trifluoro-1-(4-morpholinyl)ethanoneEthanone, 2,2,2-trifluoro-1-(4-morpholinyl)-1-(Morpholin-4-yl)-2,2,2-trifluoroethan-1-one, 4-(2,2,2-Trifluoroethanoyl)morpholine

Trifluoroacetic acid, morpholidePS-6801AC-31667SY0258012,2,2-trifluoro-1-morpholino-ethanonetrifluoroacetylmorpholineEnamine_000913SCHEMBL1119466

Database identifiers

CAS: 360-95-2
PubChem CID: 544636
DTXSID: DTXSID30337775
EC Number: 675-540-9
Nikkaji: J3.770.593D

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 90 · 90-91°/16.7mm
Density: 1.3616 · 1.3616
refractive index: 1.4151 · 1.4151
storage temp.: 2 · 2-8°C
form: liquid
color: Colourless
NIST Chemistry Reference: N-trifluoroacetylmorpholine(360-95-2)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Hazard Codes: Xi
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934999090
Signal word: Danger
Symbol(GHS): GHS02
hazard_code: Xi
Hazard statements: H225
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Chemistry & industry

Applications · 1 item

Uses4-(Trifluoroacetyl)morpholine is a chemical compound with the molecular formula C6H8F3NO2. It is a morpholine derivative that features a trifluoroacetyl group, which consists of three fluorine atoms bonded to an acetyl group. 4-(Trifluoroacetyl)morpholine is known for its versatility in organic synthesis and its potential applications in various fields.