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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- 380059
- Product name
- 4-Chloro-3-nitrobenzonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $45
- Updated
- 2023/06/20
- Product number
- 380059
- Product name
- 4-Chloro-3-nitrobenzonitrile
- Purity
- 97%
- Packaging
- 25g
- Price
- $113
- Updated
- 2023/06/20
- Product number
- C1548
- Product name
- 4-Chloro-3-nitrobenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $27
- Updated
- 2025/07/31
- Product number
- C1548
- Product name
- 4-Chloro-3-nitrobenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $59
- Updated
- 2025/07/31
- Product number
- C381095
- Product name
- 4-Chloro-3-nitrobenzonitrile
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
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
4-Chloro-3-nitrobenzonitrile Suppliers
- Tel
- --
- Fax
- --
- Country
- Canada
- ProdList
- 3
- Advantage
- 58
View Lastest Price from 4-Chloro-3-nitrobenzonitrile manufacturers
- 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
- 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
- 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