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4-Methyl-3-nitrobenzonitrile

4-Methyl-3-nitrobenzonitrile structure

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

Molecular Weight:: 162.15

MDL Number:: MFCD00031482

MOL File:: 939-79-7.mol

MSDS File:: SDS

Last updated:2026-05-28 05:23:21

Product description	Number	Pack Size	Price
4-Methyl-3-nitrobenzonitrile 97%	510572	25g	$205
4-Methyl-3-nitrobenzonitrile >98.0%(GC)	M1946	5g	$67
4-Methyl-3-nitrobenzonitrile >98.0%(GC)	M1946	25g	$207
3-NITRO-P-TOLUNITRILE 97%	26500	25G	$40
3-Nitro-4-methylbenzonitrile	084625	25.00g	$72

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4-Methyl-3-nitrobenzonitrile Properties

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)
UNSPSC Code	12352100
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)

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

Risk Statements

36/37/38

Safety Statements

26-36

RIDADR

3439

WGK Germany

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

NFPA 704

	1
3		0

4-Methyl-3-nitrobenzonitrile price More Price(50)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	510572	4-Methyl-3-nitrobenzonitrile 97%	939-79-7	25g	$205	2023-06-20	Buy
TCI Chemical	M1946	4-Methyl-3-nitrobenzonitrile >98.0%(GC)	939-79-7	5g	$67	2026-04-30	Buy
TCI Chemical	M1946	4-Methyl-3-nitrobenzonitrile >98.0%(GC)	939-79-7	25g	$207	2026-04-30	Buy
AstaTech	26500	3-NITRO-P-TOLUNITRILE 97%	939-79-7	25G	$40	2026-04-30	Buy
Matrix Scientific	084625	3-Nitro-4-methylbenzonitrile	939-79-7	25.00g	$72	2026-05-18	Buy

Product number	Packaging	Price	Buy
510572	25g	$205	Buy
M1946	5g	$67	Buy
M1946	25g	$207	Buy
26500	25G	$40	Buy
084625	25.00g	$72	Buy

4-Methyl-3-nitrobenzonitrile Chemical Properties,Uses,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 synthesis

Synthesis of 4-Methyl-3-nitrobenzonitrile from p-Tolunitrile

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

Raw materials

4-METHYL-3-NITROBENZALDEHYDE 4-Iodo-2-nitrotoluene POTASSIUM CYANIDE Nitric acid Acetic anhydride

2,3-Dichloro-5,6-dicyano-1,4-benzoquinone p-Tolunitrile 4-Chloro-2-nitrotoluene

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Preparation Products

4-METHYL-3-NITROBENZAMIDE 4-FORMYL-3-NITROBENZONITRILE 3-Amino-4-methylbenzonitrile

4-Methyl-3-nitrobenzonitrile Suppliers

Global( 217)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	20122	58
Capot Chemical Co.,Ltd.	+8613336195806	sales@capot.com	China	29640	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-2158073036	info@dakenam.com	China	13901	58
Jinan Carbotang Biotech Co.,Ltd.	+8615866703830	figo.gao@foxmail.com	China	8497	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63687	58
CONIER CHEM AND PHARMA LIMITED	+8618523575427	sales@conier.com	China	49979	58
career henan chemical co	+86-0371-86658258 +8613203830695	factory@coreychem.com	China	29792	58
Richest Group Ltd	18017061086	oled@richest-group.com	CHINA	5600	58
Fuxin Pharmaceutical	+86-021-021-50872116 +8613122107989	contact@fuxinpharm.com	China	10000	58
Antai Fine Chemical Technology Co.,Limited	18503026267	info@antaichem.com	CHINA	9636	58

Supplier	Advantage
Henan Fengda Chemical Co., Ltd	58
Capot Chemical Co.,Ltd.	60
Shanghai Daken Advanced Materials Co.,Ltd	58
Jinan Carbotang Biotech Co.,Ltd.	58
Alchem Pharmtech,Inc.	58
CONIER CHEM AND PHARMA LIMITED	58
career henan chemical co	58
Richest Group Ltd	58
Fuxin Pharmaceutical	58
Antai Fine Chemical Technology Co.,Limited	58

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

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2025-09-25	4-Methyl-3-nitrobenzonitrile 939-79-7	US $100.00-1.00 / KG	1KG	99%	g-kg-tons, free sample is available	Henan Fengda Chemical Co., Ltd
2022-02-22	4-Methyl-3-nitrobenzonitrile 939-79-7	US $0.00 / KG	1KG	98.4%	100 tons	Honest Joy Holdings Limited
2020-02-26	4-Methyl-3-nitrobenzonitrile 939-79-7	US $0.00-0.00 / KG	1KG	99.0%+	100 tons	Shaanxi Dideu Medichem Co. Ltd

4-Methyl-3-nitrobenzonitrile
939-79-7
US $100.00-1.00 / KG
99%
Henan Fengda Chemical Co., Ltd

4-Methyl-3-nitrobenzonitrile
939-79-7
US $0.00 / KG
98.4%
Honest Joy Holdings Limited

4-Methyl-3-nitrobenzonitrile
939-79-7
US $0.00-0.00 / KG
99.0%+
Shaanxi Dideu Medichem Co. Ltd

4-Methyl-3-nitrobenzonitrile Spectrum

4-Methyl-3-nitrobenzonitrile(939-79-7)¹HNMR 4-Methyl-3-nitrobenzonitrile(939-79-7)IR

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3-NITRO-P-TOLUNITRILE 3-NITRO-4-METHYLBENZONITRILE 4-METHYL-3-NITROBENZONITRILE 4-Cyano-2-nitrotoluene 4-Methy-3-Nitro benzonitrile 3-Niro-4-methylbenzonitrile 4-Cyano-2-nitrotoluene, 5-Cyano-2-methylnitrobenzene 4-Cyano-2-nitrotoluene, 5-Cyano-2-methylnitrobenzene, 3-Nitro-p-tolunitrile Benzonitrile, 4-methyl-3-nitro- 3-Nitro-p-tolunitrile 4-Cyano-2-nitrotoluene 4-Methyl-3-nitrobenzonitrile> 4-Methyl-3-nitrobenzonitrile ISO 9001：2015 REACH 4-Methyl-3-nitrobenzonitrile,98% 939-79-7 3930-27-2 Building Blocks C8 to C9 Organic Building Blocks Nitrogen Compounds Cyanides/Nitriles Aromatics FINE Chemical & INTERMEDIATES Aromatic Nitriles