3-(Bromoacetyl)benzonitrile

Basic Information

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CAS Number

50916-55-7

Molecular Formula

C9H6BrNO

Molecular Weight

224.05 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

69.0 to 73.0 deg-C

Boiling Point

317.7°Cat760mmHg

Density

1.56

Flash Point

145.9°C

Refractive Index

1.59

SMILES

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C1=CC(=CC(=C1)C(=O)CBr)C#N

InChI

InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2

InChIKey

XWCGNFLHRINYCE-UHFFFAOYSA-N

LogP

2.13588

Complexity

218

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

XWCGNFLHRINYCE-UHFFFAOYSA-N
AKOS004911132
SCHEMBL38645
CHEMBL1801626
EN300-68614
CS-0186704
PD136222
J-510485
3-(bromoacetyl)benzonitrile
3-(2-bromoacetyl)benzonitrile, AldrichCPR
3-Cyanophenacyl bromide
SY050581
2-Bromo-3'-cyanoacetophenone
3-CYANOPHENACYLBROMIDE
3-(2-bromo-acetyl)-benzonitrile
3-bromoacetyl-benzonitrile
FT-0613525
12X-0924
3-(2-bromoacetyl)benzenecarbonitrile
AC-23048
50916-55-7
DTXSID70370989
3-(2-Bromoacetyl)benzonitrile
BCP27177
A7546
Z1095336216
BDBM50347524
AM20040588
MFCD00833267
B4079
Benzonitrile, 3-(bromoacetyl)-

MDL Number

MFCD00833267

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-(Bromoacetyl)benzonitrile (CAS: 50916-55-7)?

3-(Bromoacetyl)benzonitrile (CAS: 50916-55-7) is subject to various regulatory guidelines. Globally, it falls under the United Nations' GHS classification as a hazardous chemical. In the EU, it is regulated under REACH, where companies must register it if produced or imported in quantities above one tonne per year. The FDA and EPA have specific regulations for its use and disposal in the United States, including labelling, storage, and transportation requirements.

Are there alternatives to 3-(Bromoacetyl)benzonitrile (CAS: 50916-55-7) in synthesis?

Yes, there are alternatives to 3-(Bromoacetyl)benzonitrile in synthesis. Common substitutes include bromoacetyl benzyl alcohol and N-bromosuccinimide. These alternatives can offer similar functional groups but with different reactivity and synthesis pathways. For instance, using bromoacetyl benzyl alcohol can bypass the need for nitrile groups, providing a more straightforward route to various products.

What is the market or research trend for 3-(Bromoacetyl)benzonitrile (CAS: 50916-55-7)?

The market for 3-(Bromoacetyl)benzonitrile (CAS: 50916-55-7) is currently stable, with increasing demand in pharmaceutical and industrial applications due to its unique chemical properties. Research trends focus on its use as an intermediate in the synthesis of complex molecules. Recent studies have explored its potential in drug discovery and polymer synthesis. As research progresses, the market is expected to grow, driven by innovations in synthetic chemistry and the development of new applications.

How should waste containing 3-(Bromoacetyl)benzonitrile (CAS: 50916-55-7) be handled?

Waste containing 3-(Bromoacetyl)benzonitrile (CAS: 50916-55-7) should be handled in accordance with local and international regulations. Proper waste collection should be conducted in sealed containers to prevent spillage. For incineration, it is recommended to use controlled waste incineration facilities to ensure complete destruction and minimize environmental impact. Professional waste disposal services are advised for large quantities. Always follow safety protocols to protect against potential hazards, such as fire and toxic fumes. Environmental protection measures, including proper ventilation and personal protective equipment, should be prioritized to ensure compliance with regulatory standards.