2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone

Basic Information

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CAS Number

32477-35-3

Molecular Formula

C7H3F7N2O

Molecular Weight

264.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

9-13 °C

Boiling Point

161 °C

Solubility

Miscible with chloroform and methanol.

Refractive Index

n20/D 1.3865(lit.)

SMILES

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C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H

InChIKey

MSYHGYDAVLDKCE-UHFFFAOYSA-N

LogP

2.3562000000000003

Topological Polar Surface Area

34.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

314

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

H227

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H227 Combustible liquid
Flammable liquids

Hazard Class

Class IRRITANT Class IRRITANT

Class MOISTURE SENSITIVE Class MOISTURE SENSITIVE

Class KEEP COLD Class KEEP COLD

Sensitiveness

Hygroscopic

Synonyms & References

English

EINECS 251-063-8
Imidazole, 1-(heptafluorobutyryl)-
PS-11103
AMY24768
N-Heptafluorobutyroylimidazole
2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)butan-1-one
1-Heptafluorobutyrylimidazole
1-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)-1H-imidazole
n-Heptafluorobutyrylimidazole
BCP34072
2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone
AI3-52909
MFCD00014503
C7H3F7N2O
N-Heptafluorobutyrylimidazole, 97%
SY027465
2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one
A821296
1-(Heptafluorobutyryl)imidazole, BioReagent, suitable for derivatization
FT-0629285
DTXSID40186211
J-018753
N-(Heptafluoro-n-butyryl)imidazole
N-(Heptafluorobutyryl)imidazole
NSC151966
NS00018939
SCHEMBL999664
1-(Heptafluorobutyryl)imidazole;2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)butan-1-one
1-(Heptafluorobutyryl)imidazole
1-(Perfluorobutanoyl)-1H-imidazole
AKOS005254282

MDL Number

MFCD00014503

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3)?

2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3) is a colorless liquid with a molecular weight of approximately 356.06 g/mol. It has a low solubility in water but is soluble in common organic solvents. The compound is highly reactive due to the presence of fluorine atoms and the imidazole ring, which can participate in various chemical reactions. It crystallizes in the monoclinic system and exhibits good stability under normal conditions.

How is 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3) typically synthesized?

2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3) is usually synthesized via a multistep process involving the reaction of 1,1,1,3,3,3-hexafluoro-2-butanone with 1H-imidazole. The reaction is typically catalyzed by a strong acid and proceeds with good selectivity and yield. The exact conditions, such as temperature and pressure, will depend on the specific method used.

What industries use 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3)?

2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3) is primarily used in the pharmaceutical industry for its reactive properties and ability to participate in various chemical transformations. It also finds applications in the polymer industry for the synthesis of certain functional polymers, and in the semiconductor industry for its use as a precursor in chemical vapor deposition processes.

What precautions should be taken when handling 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3)?

When handling 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone (CAS: 32477-35-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.