4-Methyl-3-nitrobenzonitrile

Product Name: 4-Methyl-3-nitrobenzonitrile
CAS No.: 939-79-7
Chemical Name: 4-Methyl-3-nitrobenzonitrile
Synonyms: 3-NITRO-P-TOLUNITRILE;4-Cyano-2-nitrotoluene;3-Niro-4-methylbenzonitrile;4-Methy-3-Nitro benzonitrile;4-METHYL-3-NITROBENZONITRILE;3-NITRO-4-METHYLBENZONITRILE;Benzonitrile, 4-methyl-3-nitro-;4-Methyl-3-nitrobenzonitrile>4-Methyl-3-nitrobenzonitrile,98%;3-Nitro-p-tolunitrile 4-Cyano-2-nitrotoluene
CBNumber: CB5339190
Molecular Formula: C8H6N2O2
Formula Weight: 162.15
MOL File: 939-79-7.mol

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4-Methyl-3-nitrobenzonitrile Property

Melting point:: 102-106 °C (lit.)
Boiling point:: 171°C 12mm
Density: 1.26±0.1 g/cm3(Predicted)
Flash point:: 171°C/12mm
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Chloroform, Ethyl Acetate
form: Crystalline Powder
color: White to yellow to pale brown
BRN: 2047311
InChI: 1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3
InChIKey: KOFBNBCOGKLUOM-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1[N+]([O-])=O)C#N
CAS DataBase Reference: 939-79-7(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
RIDADR: 3439
WGK Germany: 3
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III
HS Code: 29269090
Storage Class: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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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: 510572
Product name: 4-Methyl-3-nitrobenzonitrile
Purity: 97%
Packaging: 25g
Price: $205
Updated: 2023/06/20

TCI Chemical

Product number: M1946
Product name: 4-Methyl-3-nitrobenzonitrile
Purity: >98.0%(GC)
Packaging: 5g
Price: $65
Updated: 2025/07/31

TCI Chemical

Product number: M1946
Product name: 4-Methyl-3-nitrobenzonitrile
Purity: >98.0%(GC)
Packaging: 25g
Price: $202
Updated: 2025/07/31

TRC

Product number: N572975
Product name: 2-Nitro-p-toluonitrile
Packaging: 500mg
Price: $115
Updated: 2021/12/16

AK Scientific

Product number: L555
Product name: 3-Nitro-4-Methylbenzonitrile
Packaging: 5g
Price: $10
Updated: 2021/12/16

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4-Methyl-3-nitrobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powder

Uses

2-Nitro-p-toluonitrile (cas# 939-79-7) is a compound useful in organic synthesis.

Uses

4-Methyl-3-nitrobenzonitrile may be used in the synthesis of (E)-1-(4-cyano-2-nitrophenyl)-2-(4-(4-cyanophenoxy)phenyl)ethene and (E)-1-(4-fluorophenyl)-2-(4-cyano-2-nitrophenyl)ethene.

Synthesis

104-85-8

939-79-7

A. Synthesis of 4-methyl-3-nitrobenzonitrile. Nitric acid (20 mL) was slowly added dropwise to a mixture of 4-methylbenzonitrile (11 g, 0.098 mol) with concentrated sulfuric acid (20 mL) over a period of 1 hour at 0°C. After the dropwise addition was completed, the reaction mixture was continued to be stirred at 0°C for 1 hour. Subsequently, the reaction mixture was carefully poured into crushed ice to quench the reaction. The precipitate precipitated was collected by filtration to afford 4-methyl-3-nitrobenzonitrile (15.2 g, 95% yield) as a white solid. The product was characterized by 1H NMR (500 MHz, CDCl3): δ 8.27 (d, J = 1.6 Hz, 1H), 7.78 (dd, J = 8.0,1.7 Hz, 1H), 7.51 (d, J = 8.0 Hz, 1H), 2.69 (s, 3H).

References

[1] Patent: US2005/38032, 2005, A1. Location in patent: Page/Page column 29
[2] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 8, p. 1203 - 1208
[3] Journal of the Chemical Society, 1924, vol. 125, p. 2288
[4] Journal of the American Chemical Society, 1925, vol. 47, p. 1394
[5] Chemische Berichte, 1918, vol. 51, p. 561

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

Raw materials

Preparation Products

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4-Methyl-3-nitrobenzonitrile Suppliers

Americas 1 Canada 2 China 149 Europe 1 Germany 6 India 7 Japan 1 Sweden 1 Switzerland 1 The Netherlands 1 Ukraine 1 United Kingdom 13 United States 36 Global 220

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

Henan Fengda Chemical Co., Ltd

Product: 4-Methyl-3-nitrobenzonitrile 939-79-7
Price: US $100.00-1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2023-12-25

Honest Joy Holdings Limited

Product: 4-Methyl-3-nitrobenzonitrile 939-79-7
Price: US $0.00/KG
Min. Order: 1KG
Purity: 98.4%
Supply Ability: 100 tons
Release date: 2022-02-21

Shaanxi Dideu Medichem Co. Ltd

Product: 4-Methyl-3-nitrobenzonitrile 939-79-7
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99.0%+
Supply Ability: 100 tons
Release date: 2020-01-07

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4-Methyl-3-nitrobenzonitrile ISO 9001：2015 REACH

4-Methyl-3-nitrobenzonitrile,98%

939-79-7

3930-27-2

Building Blocks

C8 to C9

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FINE Chemical & INTERMEDIATES

Aromatic Nitriles