(2-Bromophenyl)acetonitrile

Basic Information

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CAS Number

19472-74-3

Molecular Formula

C8H6BrN

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

1 ºC

Boiling Point

269.5°C at 760 mmHg

Flash Point

>110°C

Refractive Index

1.568-1.572

SMILES

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C1=CC=C(C(=C1)CC#N)Br

InChI

InChI=1S/C8H6BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

InChIKey

BVCOJESIQPNOIF-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

147

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

(O-BROMOPHENYL)ACETONITRILE
B1928
UNII-S3GF4DI9A8
TS-02772
CS-W019568
A813746
W-107681
(2-Bromophenyl)-acetonitrile
AKOS000151318
FT-0637856
2-Bromophenylacetonitrile
2-(O-BROMOPHENYL)ACETONITRILE
o-Bromobenzyl cyanide
(2-Bromophenyl)acetonitrile
Benzeneacetonitrile, bromo-
AM20050094
2-Bromobenzyl cyanide
ACETONITRILE, (o-BROMOPHENYL)-
o-bromophenylacetonitrile
2-CYANOMETHYLBROMOBENZENE
2-Bromophenylacetonitrile, 97%
FT-0623224
NSC338412
2-(2-bromophenyl)acetonitrile
NSC-338412
1-BROMO-2-CYANOMETHYLBENZENE
MFCD00001896
NS00026346
2-bromo-phenylacetonitrile
19472-74-3
NSC 338412

MDL Number

MFCD00001896

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (2-Bromophenyl)acetonitrile (CAS: 19472-74-3)?

(2-Bromophenyl)acetonitrile is a crystalline solid with a molecular weight of approximately 218.1 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol, acetone, and benzene. Chemically, it is highly reactive towards nucleophiles and can undergo nucleophilic substitution reactions. Its solubility and reactivity make it useful in organic synthesis.

How is (2-Bromophenyl)acetonitrile (CAS: 19472-74-3) typically synthesized?

(2-Bromophenyl)acetonitrile can be synthesized via a reaction between phenylacetonitrile and bromine in the presence of a Lewis acid such as iron(III) bromide. This reaction selectively brominates the aromatic ring, yielding the desired product with a yield of around 70-80%. Other methods include using other brominating agents like N-bromosuccinimide (NBS) under suitable conditions.

What industries use (2-Bromophenyl)acetonitrile (CAS: 19472-74-3)?

(2-Bromophenyl)acetonitrile is primarily used in the pharmaceutical industry for the synthesis of various drugs, and in the chemical industry for the development of organic materials. It is also employed in the preparation of sensors and as a precursor in semiconductor manufacturing due to its reactivity and functional groups.

What precautions should be taken when handling (2-Bromophenyl)acetonitrile (CAS: 19472-74-3)?

When handling (2-Bromophenyl)acetonitrile, appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation of vapors. Spills should be handled carefully, using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.