4,4,4-Trifluorobutanal

Modify Date: 2025-08-25 19:59:31

4,4,4-Trifluorobutanal Structure
4,4,4-Trifluorobutanal structure
Common Name 4,4,4-Trifluorobutanal
CAS Number 406-87-1 Molecular Weight 126.077
Density 1.2±0.1 g/cm3 Boiling Point 60.3±40.0 °C at 760 mmHg
Molecular Formula C4H5F3O Melting Point N/A
MSDS N/A Flash Point -3.6±18.8 °C

 Names

Name 4,4,4-Trifluorobutanal
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 60.3±40.0 °C at 760 mmHg
Molecular Formula C4H5F3O
Molecular Weight 126.077
Flash Point -3.6±18.8 °C
Exact Mass 126.029251
PSA 17.07000
LogP 1.02
Vapour Pressure 193.7±0.1 mmHg at 25°C
Index of Refraction 1.316
InChIKey SCJCDNUXDWFVFI-UHFFFAOYSA-N
SMILES O=CCCC(F)(F)F

 Safety Information

Hazard Codes F: Flammable;Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36
HS Code 2913000090

 Synthetic Route

~2%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Literature: Botteghi, Carlo; Lando, Claudia; Matteoli, Ugo; Paganelli, Stefano; Menchi, Gloria Journal of Fluorine Chemistry, 1997 , vol. 83, # 1 p. 67 - 71

~15%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Literature: Ratier, Max; Pereyre, Michel; Davies, Alwyn G.; Sutcliffe, Roger Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984 , p. 1907 - 1916

~%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Detail
Literature: Ojima, Iwao; Kato, Koji; Okabe, Masami; Fuchikami, Takamasa Journal of the American Chemical Society, 1987 , vol. 109, # 25 p. 7714 - 7720

~%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Literature: Wyeth Patent: US2004/198778 A1, 2004 ; US 20040198778 A1

~%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Literature: Merrell Dow Pharmaceuticals Inc. Patent: US5084461 A1, 1992 ;

~69%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Literature: Osei-Twum, Emmanuel Y.; McCallion, Doug; Nazran, Avtar S.; Panicucci, Rick; Risbood, Prabhakar A.; Warkentin, John Journal of Organic Chemistry, 1984 , vol. 49, # 2 p. 336 - 342

~%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Literature: McBee et al. Journal of the American Chemical Society, 1950 , vol. 72, p. 5071

~%

4,4,4-Trifluorobutanal Structure

4,4,4-Trifluoro...

CAS#:406-87-1

Literature: Muller, Norbert Journal of Organic Chemistry, 1984 , vol. 49, # 23 p. 4559 - 4560

 Customs

HS Code 2913000090
Summary HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

 Synonyms

4,4,4-Trifluorobutanal
Butanal, 4,4,4-trifluoro-
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