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Trifluoroacetaldehyde

Trifluoroacetaldehyde structure

CAS No:
75-90-1
Formula:
C2HF3O
Chemical Name:
Trifluoroacetaldehyde
Synonyms:
Acetaldehyde,2,2,2-trifluoro-;Acetaldehyde,trifluoro-;Fluoral;2,2,2-Trifluoroacetaldehyde;Fluoral (aldehyde);Trifluoroacetaldehyde;Trifluoroethanal;Trifluoromethyl aldehyde;NSC 9446
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Trifluoroacetaldehyde Basic Attributes

Molecular Weight：

98.024

Exact Mass：

98.02

EC Number：

200-914-1

NSC Number：

9446

DSSTox ID：

DTXSID3058791

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

1.37

Density：

1.3±0.1 g/cm3

Boiling Point：

-20 °C

Flash Point：

-54.9±17.4 °C

Refractive Index：

1.252

OH：

6.00e-13 cm3/molecule*sec

Safety Information

Transport codes：

UN 1989

hazard class code：

safety instructions：

Drug Information

Metabolism/Metabolites：

Trifluoroacetyl chloride is a known human metabolite of 2,2-dichloro-1,1,1-trifluoroethane.

MeSH Entry Terms：

TFALD

Trifluoroacetaldehyde Use and Manufacturing

Uses

2,2,2-Trifluoroacetaldehyde is used in the synthesis of GABAB agonists which may be used in the therapeutic treatment of pain. Also used in the synthesis of ketone based inhibitors of human renin.

Manufacturing Info：

Acetaldehyde, 2,2,2-trifluoro-: INACTIVE

Computed Properties

Molecular Weight:98.02
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Exact Mass:97.99794914
Monoisotopic Mass:97.99794914
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:54.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes