Trifluoroacetaldehyde ethyl hemiacetal
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Trifluoroacetaldehyde ethyl hemiacetal
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CAS No:
433-27-2
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Formula:
C4H7F3O2
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Chemical Name:
Trifluoroacetaldehyde ethyl hemiacetal
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Synonyms:
Ethanol,1-ethoxy-2,2,2-trifluoro-;1-Ethoxy-2,2,2-trifluoroethanol;Fluoral ethyl hemiacetal;Trifluoroacetaldehyde ethyl hemiacetal;NSC 65431;1-Ethoxy-2,2,2-trifluoroethan-1-ol;93884-90-3
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CAS No:
Characteristics
29.46000
1.73
1.241 g/cm3 @ Temp: 20 °C
104-105 °C @ Press: 746 Torr
39.4±0.0 °C
1.342
Safety Information
III
3
UN 1993 3/PG 3
3
R11;R22
S16-S24-S23-S45-S36/37/39
KK9000000
F:Flammable;Xn:Harmful;
P305 + P351 + P338
H226-H302-H319
Trifluoroacetaldehyde ethyl hemiacetal Use and Manufacturing
Alternative to gaseous unstable trifluoroacetaldehyde: used to prepare α-trifluoromethylated alcohols for antifungals, antitumor, and chemotherapeutic agents.1,2,3 Trifluoroacetaldehyde Ethyl Hemiacetal is used in the synthesis of peptidomimetic inhibitors of the human cytomegalovirus protease. It is also used in the synthesis of transforming growth factor-β typ e receptor inhibitors.
Ethanol, 1-ethoxy-2,2,2-trifluoro-: ACTIVE
Computed Properties
Molecular Weight:144.09
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:144.03981395
Monoisotopic Mass:144.03981395
Topological Polar Surface Area:29.5
Heavy Atom Count:9
Complexity:80.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Trifluoroacetaldehyde ethyl hemiacetal
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