2-Bromo-1-phenyl-1-butanone

Basic Information

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CAS Number

877-35-0

Molecular Formula

C10H11BrO

Molecular Weight

227.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

265.1°C at 760 mmHg

Density

1.355

Flash Point

52.9°C

SMILES

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CCC(C(=O)c1ccccc1)Br

InChI

InChI=1S/C10H11BrO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChIKey

NDHOJNYNXYLUCR-UHFFFAOYSA-N

LogP

3.0428000000000015

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

150

Synonyms & References

English

2-Bromo-1-phenylbutan-1-one
α-Bromobutyrophenone
1-Butanone,2-bromo-1-phenyl-
2-BROMOBUTYROPHENONE
1-phenyl-2-bromo-1-butanone
2-Brom-1-phenyl-butan-1-on
2-bromo-1-phenyl-butan-1-one
2-Bromo-1-phenyl-1-butanone (ACI)
Butyrophenone, 2-bromo- (6CI, 7CI, 8CI)
Butyrophenone, α-bromo- (4CI)
1-Benzoyl-1-bromopropane
1-Phenyl-2-bromo-1-butanone
2-Bromobutyrophenone
NSC 115003

MDL Number

MFCD00086353

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0)?

2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0) falls under several regulatory guidelines. It is classified as a hazardous chemical according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). In the European Union, it is regulated under REACH, ensuring safety data sheets (SDS) and registration of substances. FDA and EPA have specific requirements for its handling and reporting of potential exposure.

Are there alternatives to 2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0) in synthesis?

Alternatives to 2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0) in synthesis include using related bromine-containing compounds or other ketones. Common substitutes might include 2-bromo-2-methylbutanone or similar brominated ketones. These alternatives offer similar functional groups for reactivity but may have different synthesis pathways and cost implications.

What is the market or research trend for 2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0)?

The market for 2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0) is driven by its use in organic synthesis, particularly in pharmaceutical and fine chemical industries. Research trends focus on its application in the synthesis of novel compounds and its role in developing new drugs. Market trends show steady demand with price stability, but there are emerging studies exploring its use in green chemistry and sustainable processes.

How should waste containing 2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0) be handled?

Waste containing 2-Bromo-1-phenyl-1-butanone (CAS: 877-35-0) should be collected in appropriate containers and stored separately. Professional waste disposal services are recommended for safe incineration or chemical treatment to prevent environmental contamination. Ensure proper personal protective equipment (PPE) is used during handling and follow local environmental protection regulations.