4-Chloro-3-nitrobenzonitrile

Basic Information

View in Editor

CAS Number

939-80-0

Molecular Formula

C7H3ClN2O2

Molecular Weight

182.56 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

98.0 to 102.0 deg-C

Boiling Point

284.8 °C at 760 mmHg

Density

1.6133 (rough estimate)

Flash Point

126℃

Refractive Index

1.5557 (estimate)

SMILES

View in Editor

C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H

InChIKey

XBLPHYSLHRGMNW-UHFFFAOYSA-N

LogP

2.64308

Complexity

229

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

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

Synonyms & References

English

4-Chloro-3-nitrobenzonitrile
3-Nitro-4-chlorobenzonitrile
4-chloro-3-nitro-benzonitril
2-chloro-5-cyanonitrobenzene
4-Chloro-3-nitrobenzonitrile (ACI)
2-Chloro-5-cyanonitrobenzene
4-Chloro-3-nitrobenzenenitrile
4-Cyano-2-nitro-1-chlorobenzene
CHEMBL54162
2-chloro-5-cyano-1-nitrobenzene
Z57151919
SR-01000510901
SCHEMBL17347334
4-Chloro-3-nitrobenzonitrile, 97%
AKOS000427999
CS-D1140
STK417952
DS-1107
SY005842
DB-023159
BENZONITRILE, 4-CHLORO-3-NITRO-
4-Chloro-3-nitro-benzonitrile
W-204096
TD1133
3-nitro-4-chloro-benzonitrile
NS00039831
EINECS 213-364-2
4-Chlor-3-nitrobenzonitril [Czech]
4-Chlor-3-nitrobenzonitril
4-chloro-3-nitrobenzonitril
BDBM50101954

MDL Number

MFCD00016987

Customs Code

2926909090

FAQ

What is 4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0)?

4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0) is an aromatic organic compound with the chemical formula C7H4ClNO2. It features a benzene ring substituted with a nitro group at the 3-position, a chloro group at the 4-position, and a nitrile group at the 1-position. This compound is typically a solid with moderate solubility in organic solvents and exhibits strong polarity due to its nitro and nitrile functionalities.

What are the main uses of 4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0)?

4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0) is primarily used as an intermediate in the synthesis of pharmaceuticals, dyes, and pesticides. Its versatile functional groups make it valuable in chemical research for developing new compounds. It is also employed in industrial processes involving organic chemistry, though specific applications depend on its reactivity and derivatization potential.

Is 4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0) safe?

4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0) requires careful handling due to its potential toxicity. Inhalation, skin contact, or ingestion may cause irritation or harm. Safety measures include using protective gloves, goggles, and ventilation. It is classified as a hazardous substance under safety standards, and proper storage is essential to minimize risks during handling and use.

How should 4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0) be stored?

4-Chloro-3-nitrobenzonitrile (CAS: 939-80-0) should be stored in a sealed, airtight container in a cool, dry place away from light. It is stable under normal conditions but sensitive to moisture and heat. Storage precautions include maintaining temperatures below 25°C, avoiding exposure to humidity, and keeping it in a well-ventilated area to ensure safety and longevity.