ChemicalBook > CAS DataBase List > 4-Chloro-3-nitrobenzonitrile

4-Chloro-3-nitrobenzonitrile

Product Name
4-Chloro-3-nitrobenzonitrile
CAS No.
939-80-0
Chemical Name
4-Chloro-3-nitrobenzonitrile
Synonyms
LABOTEST-BB LT00160147;4-chlor-3-nitrobenzonitril;2-chloro-5-cyanonitrobenzene;4-CHLORO-3-NITROBENZONITRILE;4-chloro-3-nitro-benzonitril;3-Nitro-4-chlorobenzonitrile;2-Nitro-4-cyanophenyl chloride;Benzonitrile,4-chloro-3-nitro-;4-Cyano-2-nitro-1-chlorobenzene;4-Chloro-3-nitrobenzonitrile,97%
CBNumber
CB3279836
Molecular Formula
C7H3ClN2O2
Formula Weight
182.56
MOL File
939-80-0.mol
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4-Chloro-3-nitrobenzonitrile Property

Melting point:
98-100 °C (lit.)
Boiling point:
284.8±25.0 °C(Predicted)
Density 
1.6133 (rough estimate)
refractive index 
1.5557 (estimate)
storage temp. 
Sealed in dry,Room Temperature
Water Solubility 
Slightly soluble in water
form 
powder to crystal
color 
White to Light yellow to Green
BRN 
1639111
InChI
InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChIKey
XBLPHYSLHRGMNW-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(Cl)C([N+]([O-])=O)=C1
CAS DataBase Reference
939-80-0(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-20/21/22
Safety Statements 
26-36-36/37
WGK Germany 
2
RTECS 
DI3050000
HS Code 
29269090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
380059
Product name
4-Chloro-3-nitrobenzonitrile
Purity
97%
Packaging
5g
Price
$45
Updated
2023/06/20
Sigma-Aldrich
Product number
380059
Product name
4-Chloro-3-nitrobenzonitrile
Purity
97%
Packaging
25g
Price
$113
Updated
2023/06/20
TCI Chemical
Product number
C1548
Product name
4-Chloro-3-nitrobenzonitrile
Purity
>98.0%(GC)
Packaging
5g
Price
$27
Updated
2025/07/31
TCI Chemical
Product number
C1548
Product name
4-Chloro-3-nitrobenzonitrile
Purity
>98.0%(GC)
Packaging
25g
Price
$59
Updated
2025/07/31
TRC
Product number
C381095
Product name
4-Chloro-3-nitrobenzonitrile
Packaging
250mg
Price
$55
Updated
2021/12/16
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4-Chloro-3-nitrobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

light yellow crystalline powder

Uses

4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.

General Description

FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm-1 and 100-4000cm-1, respectively. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride. Crystal structure of 4-chloro-3-nitrobenzonitrile has been reported. Molecules of 4-chloro-3-nitrobenzonitrile are linked by weak intermolecular C-H…O and C-H…N hydrogen bonds.

Synthesis

623-03-0

939-80-0

The general procedure for the synthesis of 4-chloro-3-nitrobenzonitrile from 4-chlorobenzonitrile was as follows: 4-chlorobenzonitrile (4 g, 29.2 mmol) was dissolved in 40 mL of anhydrous acetonitrile, and nitronium tetrafluoroborate (7.7 g, 58.39 mmol) was added slowly at 0 °C. The reaction mixture was stirred at room temperature for 20 hours. After completion of the reaction, the mixture was quenched by pouring it into cold water. The precipitated white solid product was collected by filtration and the filter cake was washed with cold water to remove impurities. The resulting crude product (4.0 g, 75.47% yield) could be used directly in the subsequent reaction steps without further purification.

References

[1] Journal of Medicinal Chemistry, 1990, vol. 33, # 4, p. 1252 - 1257
[2] Patent: WO2014/24056, 2014, A1. Location in patent: Page/Page column 40
[3] MedChemComm, 2017, vol. 8, # 10, p. 2003 - 2011
[4] Journal of Medicinal Chemistry, 1991, vol. 34, # 3, p. 1110 - 1116
[5] Recueil des Travaux Chimiques des Pays-Bas, 1922, vol. 41, p. 36

4-Chloro-3-nitrobenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Chloro-3-nitrobenzonitrile Suppliers

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View Lastest Price from 4-Chloro-3-nitrobenzonitrile manufacturers

Hangzhou Lucky Biology Co., Ltd
Product
4-Chloro-3-nitrobenzonitrile 939-80-0
Price
US $1.00/kg
Min. Order
1kg
Purity
99
Supply Ability
MTS
Release date
2025-12-02
Hebei Zhuanglai Chemical Trading Co Ltd
Product
4-Chloro-3-nitrobenzonitrile 939-80-0
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 ton
Release date
2024-12-11
Asia Chem I and E (Jiangsu) Co Ltd
Product
4-Chloro-3-nitrobenzonitrile 939-80-0
Price
US $41.86/Kg/Drum
Min. Order
25Kg/Drum
Purity
98.00%HPLC
Supply Ability
1ton/month
Release date
2021-09-17

939-80-0, 4-Chloro-3-nitrobenzonitrileRelated Search:

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  • 4-CHLORO-3-NITROBENZONITRILE
  • LABOTEST-BB LT00160147
  • 2-chloro-5-cyanonitrobenzene
  • 4-chlor-3-nitrobenzonitril
  • 4-chloro-3-nitro-benzonitril
  • 2-Nitro-4-cyanophenyl chloride
  • 3-Nitro-4-chlorobenzonitrile
  • 4-Chloro-3-nitrobenzonitrile,97%
  • 3-nitro-4-chlorophenyl carbonitrile
  • 4-Cyano-2-nitro-1-chlorobenzene
  • Benzonitrile,4-chloro-3-nitro-
  • 4-Chloro-3-nitrobenzonitrile &gt
  • 4-CHLORO-3-NITROBENZONITRILE ISO 9001：2015 REACH
  • 4-Chloro-3-nitrobenzonitrile (Alectinib Impurity)
  • CAS No.939-80-0 4-CHLORO-3-NITROBENZONITRILE
  • 939-80-0
  • Cyanides/Nitriles
  • Organic Building Blocks
  • Nitrogen Compounds
  • C6 to C7
  • Building Blocks
  • C6 to C7
  • Cyanides/Nitriles
  • Nitrogen Compounds
  • Aromatic Nitriles