2,4-Dichlorobenzonitrile

Basic Information

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CAS Number

6574-98-7

Molecular Formula

C7H3Cl2N

Molecular Weight

161.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

59.0 to 63.0 deg-C

Boiling Point

125°C/15mmHg

Density

1.4980 (rough estimate)

Flash Point

113.4℃

Refractive Index

1.6000 (estimate)

SMILES

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C1=CC(=C(C=C1Cl)Cl)C#N

InChI

InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

InChIKey

GRUHREVRSOOQJG-UHFFFAOYSA-N

LogP

3.301820000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

160

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2,4-dichloro benzonitrile
AM20060061
BP-12727
6574-98-7
NS00035906
AC-2865
SCHEMBL101711
A19026
2,4-Dichlorobenzonitrile
MFCD00016373
SB38158
O10595
Q-200183
AKOS000304453
GUC45NQ4S4
GS-3181
CS-W017635
FT-0610045
EINECS 229-493-2
D3349
2,4-dichloro-benzonitrile
DTXSID30215943
Benzonitrile, 2,4-dichloro-
EN300-49575
2,4,5-TRIMETHYLPHENYLMAGNESIUM BROMIDE
2,4-Dichlor-Benzonitril
2,4-dichlorobenzonirtile
2,4-Dichlorobenzonit
2,4-dichlorobenzylnitrile
2,4-dichlorophenyl cyanide
2.4-DICHLORBENZONITRILE +

MDL Number

MFCD00016373

Customs Code

29269095

FAQ

What is 2,4-Dichlorobenzonitrile (CAS: 6574-98-7)?

2,4-Dichlorobenzonitrile is an aromatic organic compound with the chemical formula C6H3Cl2CN. It features a benzene ring substituted with two chlorine atoms at the 2 and 4 positions and a nitrile group (-CN) at the 1 position. This compound is known for its stability in organic synthesis and is commonly used as an intermediate in the production of various chemicals. It is a white solid at room temperature and has a characteristic aromatic odor. Its molecular structure makes it valuable in pharmaceutical and industrial applications due to its reactivity and functional groups.

What are the main uses of 2,4-Dichlorobenzonitrile (CAS: 6574-98-7)?

2,4-Dichlorobenzonitrile is primarily used in pharmaceuticals as a building block for synthesizing drugs and agrochemicals. It serves as an intermediate in the production of dyes, pesticides, and specialty chemicals. In industrial settings, it is employed in the manufacture of organic compounds and materials. Researchers also use it in chemical synthesis due to its versatility. Its applications are diverse, driven by its ability to participate in electrophilic substitution reactions.

Is 2,4-Dichlorobenzonitrile (CAS: 6574-98-7) safe?

2,4-Dichlorobenzonitrile is toxic and requires careful handling. It may cause skin and eye irritation, and inhalation or ingestion can lead to adverse health effects. Safety standards emphasize the need for protective equipment, such as gloves and goggles, and proper ventilation. It should be stored securely away from heat and incompatible materials. Always follow OSHA and EPA guidelines when working with this compound to ensure safety.

How should 2,4-Dichlorobenzonitrile (CAS: 6574-98-7) be stored?

2,4-Dichlorobenzonitrile should be stored in a cool, dry place, away from light, in a sealed, airtight container. It is stable under normal conditions but may degrade if exposed to moisture or high temperatures. Keep it in a well-ventilated area and avoid contact with incompatible substances. Storage should comply with safety regulations to prevent contamination and maintain chemical integrity.