2-Chloro-4-nitrobenzonitrile

Basic Information

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CAS Number

28163-00-0

Molecular Formula

C7H3ClN2O2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

78-80 ºC

Flash Point

157.6℃

Refractive Index

1.5557 (estimate)

SMILES

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C1=CC(=C(C=C1[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

229

Safety Information

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Hazard Statement

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

AC-26147
A920970
DTXSID70182428
JS-188C
SY007287
MFCD00052203
2-Chloro-4-nitrobenzonitrile
AKOS005073018
28163-00-0
EN300-133745
C3122
2-chloro-4-nitro-benzonitrile
SCHEMBL2477528
Benzonitrile, 2-chloro-4-nitro-
CS-W017084
FT-0611791
J-508776
2-Chlor-4-nitrobenzonitril
2-chloro-4-nitrobenzenecarbonitrile
2-Chloro-4-nitrobenzotrifluoride
4-nitro-2-chlorobenzonitrile
chloronitrobenzenecarbonitrile
3-Chloro-4-cyanonitrobenzene
ZIGQFRQZYVQQDR-UHFFFAOYSA-N
PubChem18759
KSC497K1R
SBB064814
VZ24268
TRA0077519
R125
AB0018004

MDL Number

MFCD00052203

Customs Code

2926909090

FAQ

What is 2-Chloro-4-nitrobenzonitrile (CAS: 28163-00-0)?

2-Chloro-4-nitrobenzonitrile is an organic compound with the molecular formula C7H4ClNO2. It is characterized by its chloro and nitro substituents on a benzonitrile moiety. The compound is a colorless solid with a distinctive odor. It is commonly used as a precursor in the synthesis of various pharmaceuticals and dyes.

What are the main uses of 2-Chloro-4-nitrobenzonitrile (CAS: 28163-00-0)?

2-Chloro-4-nitrobenzonitrile is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of dyes and other organic compounds. Its versatility in chemical transformations makes it a valuable intermediate in organic synthesis.

Is 2-Chloro-4-nitrobenzonitrile (CAS: 28163-00-0) safe?

2-Chloro-4-nitrobenzonitrile is flammable and can be reactive under certain conditions. It is important to handle it with care to avoid exposure to skin and eyes. Proper protective equipment and ventilation should be used when working with this compound. It is classified as a hazardous chemical and should be stored in a secure location, away from incompatible materials.

How should 2-Chloro-4-nitrobenzonitrile (CAS: 28163-00-0) be stored?

2-Chloro-4-nitrobenzonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a well-ventilated area and in a tightly closed container to prevent exposure to air. Containers should be handled with care to avoid breakage. It should be stored at room temperature and protected from moisture and incompatible materials.