4-(Bromoacetyl)benzonitrile

Basic Information

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CAS Number

20099-89-2

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

92.0 to 94.0 deg-C

Boiling Point

342.4 °C at 760 mmHg

Density

1.56

Flash Point

160.9 °C

Refractive Index

1.59

SMILES

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C1=CC(=CC=C1C#N)C(=O)CBr

InChI

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

InChIKey

LJANCPRIUMHGJE-UHFFFAOYSA-N

LogP

2.13588

Complexity

210

Safety Information

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GHS Hazard Pictograms

H302

H312

H314

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-Bromo-4'-cyanoacetophenone, 96%
EN300-13898
J-013010
CK2151
STR07969
20099-89-2
Z104496340
4-Cyanophenacyl bromide
The intermideate of Isavuconazole
BCP10300
NSC 157569
UNII-E6T2NP32GC
MFCD00052931
NSC157569
AC-31070
SCHEMBL250688
Benzonitrile, 4-(bromoacetyl)-
4-bromoacetyl benzonitrile
4-(2-bromoacetyl)-benzonitrile
4-bromoacetylbenzonitrile
CHEMBL1801622
4-(2-bromo-acetyl)-benzonitrile
4-Bromoacetyl-benzonitrile
CS-M3110
UPCMLD0ENAT5695579:001
E6T2NP32GC
F0001-0711
a-bromo-4'-cyano-acetophenone
4-(Bromoacetyl)benzonitrile #
2-bromo-4'-cyano-acetophenone
AM835

MDL Number

MFCD00052931

Customs Code

2926909090

FAQ

What is 4-(Bromoacetyl)benzonitrile (CAS: 20099-89-2)?

4-(Bromoacetyl)benzonitrile is a bromoacetyl-substituted aromatic nitrile with the chemical formula C8H5BrNO. It is a synthetic organic compound characterized by its reactive acetyl and nitrile groups, making it valuable as an intermediate in chemical synthesis. The compound is typically a liquid or solid, depending on its purity, and exhibits properties common to aromatic nitriles, such as polarity and susceptibility to hydrolysis.

What are the main uses of 4-(Bromoacetyl)benzonitrile (CAS: 20099-89-2)?

4-(Bromoacetyl)benzonitrile is primarily used in pharmaceutical research for synthesizing bioactive molecules and drug candidates. It also serves as an industrial intermediate in the production of agrochemicals and dyes. Its reactivity makes it useful in organic reactions like nucleophilic substitution and coupling processes. Additionally, it is employed in chemical research for developing new materials and functional compounds.

Is 4-(Bromoacetyl)benzonitrile (CAS: 20099-89-2) safe?

4-(Bromoacetyl)benzonitrile is considered hazardous due to its potential toxicity and reactivity. It should be handled with appropriate protective equipment, such as gloves and goggles, and in a well-ventilated area. Safety standards emphasize avoiding direct skin or eye contact and inhalation. Always follow regulatory guidelines and consult safety data sheets (SDS) for proper handling procedures.

How should 4-(Bromoacetyl)benzonitrile (CAS: 20099-89-2) be stored?

4-(Bromoacetyl)benzonitrile should be stored in a cool, dry, and dark place, ideally below 25°C, to maintain stability. It requires a sealed container to prevent exposure to air and moisture. Avoid storage near incompatible substances, and ensure proper ventilation. Keep away from heat sources and maintain low humidity to prevent degradation or hazardous reactions.