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4-Chloro-3-nitrobenzonitrile

4-Chloro-3-nitrobenzonitrile Structure
4-Chloro-3-nitrobenzonitrile structure
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
Molecular Weight:
182.56
MDL Number:
MFCD00016987
MOL File:
939-80-0.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-04-24 14:58:17
Product description Number Pack Size Price
4-Chloro-3-nitrobenzonitrile 97% 380059 5g $45
4-Chloro-3-nitrobenzonitrile 97% 380059 25g $113
4-Chloro-3-nitrobenzonitrile >98.0%(GC) C1548 5g $27
4-Chloro-3-nitrobenzonitrile >98.0%(GC) C1548 25g $59
4-Chloro-3-nitrobenzonitrile C381095 1g $75
More product size
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4-Chloro-3-nitrobenzonitrile Properties

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)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
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
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704
1
2 0

4-Chloro-3-nitrobenzonitrile price More Price(43)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 380059 4-Chloro-3-nitrobenzonitrile 97% 939-80-0 5g $45 2023-06-20 Buy
Sigma-Aldrich 380059 4-Chloro-3-nitrobenzonitrile 97% 939-80-0 25g $113 2023-06-20 Buy
TCI Chemical C1548 4-Chloro-3-nitrobenzonitrile >98.0%(GC) 939-80-0 5g $27 2026-03-19 Buy
TCI Chemical C1548 4-Chloro-3-nitrobenzonitrile >98.0%(GC) 939-80-0 25g $59 2026-03-19 Buy
TRC C381095 4-Chloro-3-nitrobenzonitrile 939-80-0 1g $75 2021-12-16 Buy
Product number Packaging Price Buy
380059 5g $45 Buy
380059 25g $113 Buy
C1548 5g $27 Buy
C1548 25g $59 Buy
C381095 1g $75 Buy

4-Chloro-3-nitrobenzonitrile Chemical Properties,Uses,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

4-Chlorobenzonitrile

623-03-0

4-Chloro-3-nitrobenzonitrile

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

4-Chlorobenzonitrile Acetonitrile

Preparation Products

4-METHOXY-3-NITROBENZAMIDE 4-CHLORO-3-NITROBENZAMIDE 4-Hydroxy-3-nitrobenzonitrile TERT-BUTYL 4-(4-CYANO-2-NITROPHENYLAMINO)PIPERIDINE-1-CARBOXYLATE 4-CHLORO-3-NITROBENZYLAMINE HYDROCHLORIDE
4-HYDRAZINO-3-NITROBENZONITRILE

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4-Chloro-3-nitrobenzonitrile Suppliers

Global( 333)Suppliers
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Hangzhou Lucky Biology Co., Ltd 		+8618105713381 lucky@lkbiology.com China 161 58
Hebei Chuanghai Biotechnology Co,.LTD 		+86-86-13131129325 +8613131129325 sales1@chuanghaibio.com China 5235 58
Henan Fengda Chemical Co., Ltd 		+86-371-86557731 +86-13613820652 info@fdachem.com China 20124 58
Hebei Zhuanglai Chemical Trading Co Ltd 		+86-16264648883 niki@zlchemi.com China 7245 58
Capot Chemical Co.,Ltd. 		+86-（0）57185586718; +8613336195806 sales@capot.com China 29640 60
Shanghai Daken Advanced Materials Co.,Ltd 		+86-2158073036 info@dakenam.com China 13843 58
Henan Tianfu Chemical Co.,Ltd. 		+86-0371-55170693 +86-19937530512 info@tianfuchem.com China 21591 55
career henan chemical co 		+86-0371-86658258 +8613203830695 sales@coreychem.com China 29819 58
Zhejiang ZETian Fine Chemicals Co. LTD 		+8618957127338 stella@zetchem.com China 2994 58
Changzhou Ansciep Chemical Co., Ltd. 		+86 519 86305871 sales@ansciepchem.com CHINA 4241 58
Supplier Advantage
Hangzhou Lucky Biology Co., Ltd 		58
Hebei Chuanghai Biotechnology Co,.LTD 		58
Henan Fengda Chemical Co., Ltd 		58
Hebei Zhuanglai Chemical Trading Co Ltd 		58
Capot Chemical Co.,Ltd. 		60
Shanghai Daken Advanced Materials Co.,Ltd 		58
Henan Tianfu Chemical Co.,Ltd. 		55
career henan chemical co 		58
Zhejiang ZETian Fine Chemicals Co. LTD 		58
Changzhou Ansciep Chemical Co., Ltd. 		58

Related Qustion

Ask a question
Q:What is the use and preparation of 4-Chloro-3-nitrobenzonitrile?Zora - Dec 12，2025
A: 4-Chloro-3-nitrobenzonitrile may be employed for the radiosynthesis of analogs of serotonin transporter (SERT) ligands for use in positron emission tomography (PET) studies and for the preparation of N-(4-cyano-2-nitrophenyl)glycine. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride.

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

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Chloro-3-nitrobenzonitrile pictures 2026-04-30 4-Chloro-3-nitrobenzonitrile
939-80-0
 US $41.86 / Kg/Drum 25Kg/Drum 98.00%HPLC 1ton/month Asia Chem I and E (Jiangsu) Co Ltd
4-Chloro-3-nitrobenzonitrile pictures 2026-04-30 4-Chloro-3-nitrobenzonitrile
939-80-0
 US $84.77 / Kg/Drum 5Kg/Drum 99.0%min 2tons/month Asia Chem I and E (Jiangsu) Co Ltd
4-Chloro-3-nitrobenzonitrile pictures 2026-04-29 4-Chloro-3-nitrobenzonitrile
939-80-0
 US $1.00 / kg 1kg 99 MTS Hangzhou Lucky Biology Co., Ltd

4-Chloro-3-nitrobenzonitrile Spectrum

4-Chloro-3-nitrobenzonitrile(939-80-0)MS4-Chloro-3-nitrobenzonitrile(939-80-0)1HNMR4-Chloro-3-nitrobenzonitrile(939-80-0)IR14-Chloro-3-nitrobenzonitrile(939-80-0)IR24-Chloro-3-nitrobenzonitrile(939-80-0)Raman

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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 > 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