3-Oxobutanenitrile

Basic Information

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CAS Number

2469-99-0

Molecular Formula

C4H5NO

Molecular Weight

83.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

92-94℃/10mm

Water Solubility

Slightly soluble in water.

Refractive Index

1.4285

SMILES

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CC(=O)CC#N

InChI

InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3

InChIKey

OPXYNEYEDHAXOM-UHFFFAOYSA-N

LogP

0.48908

Complexity

97.4

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

1-cyano-2-propanone
FT-0725204
3-Oxobutyronitrile
a-Cyanoacetone
3-oxobutanenitrile
DTXSID90179431
Acetylacetonitrile
alpha-acetylacetonitrile
AKOS007929924
AM86800
MFCD05861381
EN300-50651
A846609
NS00027722
NCC(CH3)CO
Butanenitrile, 3-oxo-
SB36157
3-?Oxobutanenitrile
2469-99-0
3-oxo-butyronitrile
EINECS 219-590-8
cyanoacetone
CS-W020196
acetoacetonitrile
Cyanaceton
3-Oxobutanenitrile
2-Oxopropyl cyanide
Butanenitrile,3-oxo
Acetoacetonitrile(7CI,8CI)
Cyanoacetone
OPXYNEYEDHAXOM-UHFFFAOYSA-N

MDL Number

MFCD05861381

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Oxobutanenitrile (CAS: 2469-99-0)?

3-Oxobutanenitrile (CAS: 2469-99-0) must comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for chemical labeling, safety data sheets, and occupational exposure limits. Ensure proper storage, handling, and disposal according to local and international regulations.

Are there alternatives to 3-Oxobutanenitrile (CAS: 2469-99-0) in synthesis?

There are alternative reagents such as acrylonitrile and butyraldehyde that can be used as precursors in the synthesis of 3-Oxobutanenitrile (CAS: 2469-99-0). These alternatives may offer different reactivity profiles, and their selection depends on specific chemical needs and process conditions.

What is the market or research trend for 3-Oxobutanenitrile (CAS: 2469-99-0)?

The market for 3-Oxobutanenitrile (CAS: 2469-99-0) is growing due to its applications in various industries, including pharmaceuticals and agrochemicals. Research trends are focusing on developing more efficient synthesis methods and exploring its use in novel chemical compounds. Pricing trends indicate steady demand, with minor fluctuations based on supply and demand dynamics.

How should waste containing 3-Oxobutanenitrile (CAS: 2469-99-0) be handled?

Waste containing 3-Oxobutanenitrile (CAS: 2469-99-0) should be collected in appropriate containers, labeled with hazard information, and disposed of through professional waste disposal services. Incineration is a common method for disposal, ensuring that the process is conducted under controlled conditions to minimize environmental impact. Always follow local regulations for hazardous waste disposal.