1-Bromo-2-butanone

Basic Information

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CAS Number

816-40-0

Molecular Formula

C4H7BrO

Molecular Weight

151 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

156 ºC

Density

1.439

Flash Point

68 ºC

Refractive Index

1.4670

SMILES

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CCC(=O)CBr

InChI

InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3

InChIKey

CCXQVBSQUQCEEO-UHFFFAOYSA-N

LogP

1.3604

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

51.5

Safety Information

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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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Lachrymatory

Synonyms & References

English

BRN 0741894
1-Bromo-2-butanone,with calcium carbonate stabilizer
816-40-0
J-504459
AKOS005207050
CS-0131119
1-Bromo-2-butanone, 95%
Q9127828
4UPM4J7CVA
bromobutanone
2-Oxobutyl bromide
FT-0607448
l-bromo-2-butanone
Bromomethyl ethyl ketone
1-bromo-2-oxo-butane
EINECS 212-431-3
TL 819
MFCD00000207
1-BROMO-2-BUTANONE
bromobutan-2-one
1-bromobutan-2-one
UNII-4UPM4J7CVA
2-Butanone, 1-bromo-
F10475
NS00038145
DTXSID00231216
LS-12988
BCP08723
1-Bromobutanone
1-Bromo-2-butanone (stabilized with calcium carbonate)
1-bromo-butan-2-one

MDL Number

MFCD00000207

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 1-Bromo-2-butanone (CAS: 816-40-0)?

1-Bromo-2-butanone (CAS: 816-40-0) is classified under the Globally Harmonized System (GHS) as a flammable liquid and a skin and eye irritant. It is also regulated under the European Union’s REACH regulations, which require companies to register chemicals above a certain tonnage to ensure health and environmental protection. Additionally, the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific requirements for handling, storage, and disposal to ensure safety and compliance with environmental laws.

Are there alternatives to 1-Bromo-2-butanone (CAS: 816-40-0) in synthesis?

There are several alternatives to 1-Bromo-2-butanone (CAS: 816-40-0) in synthesis, depending on the specific reaction requirements. For instance, 1-Chloro-2-butanone can be used as a bromine analog. Other substitutes include acetylacetone derivatives, which can serve similar reducing and functionalization purposes. The choice of alternative depends on the desired properties and the availability of reagents.

What is the market or research trend for 1-Bromo-2-butanone (CAS: 816-40-0)?

The market for 1-Bromo-2-butanone (CAS: 816-40-0) is primarily driven by its use in organic synthesis and as a precursor in the manufacture of pharmaceuticals and agrochemicals. Research trends show a growing interest in its use as a versatile intermediate due to its bromine functionality. There is also a trend toward developing more sustainable and environmentally friendly processes for its production and utilization.

How should waste containing 1-Bromo-2-butanone (CAS: 816-40-0) be handled?

Waste containing 1-Bromo-2-butanone (CAS: 816-40-0) should be collected in appropriate containers, labeled as flammable and hazardous. It should then be disposed of by incineration in an approved facility or by professional waste disposal services. Environmental precautions include ensuring that the waste is not released into the environment and that all disposal procedures comply with local, national, and international regulations to prevent contamination and ensure safety.