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ethyl 5,5,5-trifluoro-4-oxopentanoate

ethyl 5,5,5-trifluoro-4-oxopentanoate structure

CAS No:
70961-05-6
Formula:
C7H9F3O3
Chemical Name:
ethyl 5,5,5-trifluoro-4-oxopentanoate
Synonyms:
Ethyl 5,5,5-trifluoro-4-oxopentanoate;Pentanoic acid, 5,5,5-trifluoro-4-oxo-, ethyl ester;5,5,5-TRIFLUORO-4-OXO-PENTANOIC ACID ETHYL ESTER;MFCD12828184;SCHEMBL3603910;CTK8C5200;DTXSID60538793;1000AC;ANW-74594;ZINC39629456

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ethyl 5,5,5-trifluoro-4-oxopentanoate Basic Attributes

Molecular Weight：

198.1397696

Exact Mass：

198.050385

DSSTox ID：

DTXSID60538793

Characteristics

PSA：

43.4

XLogP3：

1.2

Density：

1.2±0.1 g/cm3

Boiling Point：

185℃

Flash Point：

64℃

Refractive Index：

1.373

Safety Information

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:198.14
XLogP3:1.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:198.05037863
Monoisotopic Mass:198.05037863
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

94633-25-7

87341-24-0

54527-36-5

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Guide of ethyl 5,5,5-trifluoro-4-oxopentanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Synthesis Route
Learn More Other Chemicals

ethyl 5,5,5-trifluoro-4-oxopentanoate

SDS

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