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ChemicalBook >> CAS DataBase List >>2-METHYL-5-NITROBENZONITRILE

2-METHYL-5-NITROBENZONITRILE

CAS No.
939-83-3
Chemical Name:
2-METHYL-5-NITROBENZONITRILE
Synonyms
5-NITRO-O-TOLUNITRILE;AKOS BBS-00000038;4-Nitro-2-cyanotoluene;Methyl-5-nitrobenzonitrile;5-NITRO-2-METHYLBENZONITRILE;2-METHYL-5-NITROBENZONITRILE;Benzonitrile, 2-methyl-5-nitro-;2-Methyl-5-nitrobenzonitrile-98%;2-Methyl-5-nitrobenzonitrile >2-methyl-5-nitro-benzenecarbonitrile
CBNumber:
CB9441770
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.15
MDL Number:
MFCD00017040
MOL File:
939-83-3.mol
MSDS File:
SDS
Last updated:2026-05-28 04:46:12
Product description Number Pack Size Price
2-Methyl-5-nitrobenzonitrile 97% 345016 5g $77.2
2-Methyl-5-nitrobenzonitrile >98.0%(GC) M2570 5g $30
2-Methyl-5-nitrobenzonitrile >98.0%(GC) M2570 25g $88
3-Cyano-4-methylnitrobenzene Asreported 270239 2g $333
3-Cyano-4-methylnitrobenzene Asreported 270239 5g $460
More product size

2-METHYL-5-NITROBENZONITRILE Properties

Melting point 103.5-107.5 °C (lit.)
Boiling point 175°C/10mmHg(lit.)
Density 1.3264 (rough estimate)
refractive index 1.5770 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility ethanol: soluble(lit.)
form powder to crystal
color White to Light yellow
BRN 1947376
InChI 1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChIKey XOSDYLFXPMFRGF-UHFFFAOYSA-N
SMILES Cc1ccc(cc1C#N)[N+]([O-])=O
CAS DataBase Reference 939-83-3(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
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
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  3276
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
NFPA 704
1
2 0

2-METHYL-5-NITROBENZONITRILE price More Price(68)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 345016 2-Methyl-5-nitrobenzonitrile 97% 939-83-3 5g $77.2 2023-06-20 Buy
TCI Chemical M2570 2-Methyl-5-nitrobenzonitrile >98.0%(GC) 939-83-3 5g $30 2026-04-30 Buy
TCI Chemical M2570 2-Methyl-5-nitrobenzonitrile >98.0%(GC) 939-83-3 25g $88 2026-04-30 Buy
Usbiological 270239 3-Cyano-4-methylnitrobenzene Asreported 939-83-3 2g $333 2026-06-03 Buy
Usbiological 270239 3-Cyano-4-methylnitrobenzene Asreported 939-83-3 5g $460 2026-06-03 Buy
Product number Packaging Price Buy
345016 5g $77.2 Buy
M2570 5g $30 Buy
M2570 25g $88 Buy
270239 2g $333 Buy
270239 5g $460 Buy

2-METHYL-5-NITROBENZONITRILE Chemical Properties,Uses,Production

Chemical Properties

Light yellow crystalline

Uses

2-Methyl-5-nitrobenzonitrile was used in the preparation of 5-(2-methyl-5-nitrophenyl)-1H-tetrazole.

Synthesis Reference(s)

Tetrahedron Letters, 25, p. 4971, 1984 DOI: 10.1016/S0040-4039(01)91273-0

General Description

2-Methyl-5-nitrobenzonitrile is an aralkyl nitrile. It is formed by nitration of o-toluonitrile with NO2+BF4-. Crystal structure of 2-methyl-5-nitrobenzonitrile is stabilized by van der Waals interactions.

Synthesis

2-Bromo-4-nitrotoluene

7745-93-9

ZINC CYANIDE

557-21-1

2-METHYL-5-NITROBENZONITRILE

939-83-3

Using 2-bromo-4-nitrotoluene (250.0 g, 1.16 mol) and zinc cyanide (135.0 g, 1.16 mol) as raw materials, both were mixed with tetrakis(triphenylphosphine)palladium (25 g, 0.02 mol) in anhydrous N,N-dimethylformamide (1500 mL) under nitrogen protection. The reaction mixture was stirred at 80°C for 24 hours. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding reagent ratio of petroleum ether:ethyl acetate = 10:1), and after confirming the completion of the reaction, the mixture was poured into toluene (1500 mL) and washed with 2N ammonia (800 mL x 2). The aqueous layer was back-extracted with toluene (800 mL x 2). The organic layers were combined, washed with saturated saline, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography (first eluted with petroleum ether, then with a mixed solvent of petroleum ether:ethyl acetate=10:1) to give 2-methyl-5-nitrobenzonitrile (25.5 g, 42% yield) as a gray solid and recovered unreacted 2-bromo-4-nitrotoluene (170 g) as a yellow solid. The product was characterized by 1H NMR (300 MHz, CDCl3): δ 8.46-8.47 (d, J=3.0 Hz, 1H), 8.31-8.34 (dd, J=9.0 Hz, 1H), 7.53-7.56 (d, J=9.0 Hz, 1H), 2.68 (s, 3H).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 23, p. 6273 - 6278
[2] Patent: WO2006/117669, 2006, A1. Location in patent: Page/Page column 41; 113

2-METHYL-5-NITROBENZONITRILE Preparation Products And Raw materials

Global( 185)Suppliers
Supplier Tel Email Country ProdList Advantage
Henan Fengda Chemical Co., Ltd 		+86-371-86557731 +86-13613820652 info@fdachem.com China 20120 58
Capot Chemical Co.,Ltd. 		+86-（0）57185586718 +86-13336195806 sales@capot.com China 29640 60
Nanjing Dolon Biotechnology Co.,Ltd. 		18905173768 52513593@qq.com CHINA 2972 58
Alchem Pharmtech,Inc. 		8485655694 sales@alchempharmtech.com United States 63687 58
CONIER CHEM AND PHARMA LIMITED 		sales@conier.com China 49979 58
career henan chemical co 		+86-0371-86658258 factory@coreychem.com China 29792 58
Fuxin Pharmaceutical 		+86-021-021-50872116 contact@fuxinpharm.com China 9976 58
Hefei TNJ Chemical Industry Co.,Ltd. 		+86-0551-65418671 +86-189 4982 3763 sales@tnjchem.com China 34563 58
Win-Win chemical CO., Limited 		+86-0086-577-64498589 +86-15355981851 sales@win-winchemical.com China 14303 58
Shaanxi Dideu Medichem Co. Ltd 		+86-29-81139210 +86-17392587031 1059@dideu.com China 9996 58

View Lastest Price from 2-METHYL-5-NITROBENZONITRILE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-METHYL-5-NITROBENZONITRILE pictures 2026-07-09 2-METHYL-5-NITROBENZONITRILE
939-83-3
 $1.00-100.00 1KG 99% Henan Fengda Chemical Co., Ltd
2-Methyl-5-nitrobenzonitrile pictures 2025-04-04 2-Methyl-5-nitrobenzonitrile
939-83-3
 1KG 98% 1Ton Henan Aochuang Chemical Co.,Ltd.
2-Methyl-5-nitrobenzonitrile pictures 2020-02-26 2-Methyl-5-nitrobenzonitrile
939-83-3
 1KG 99.0% 100 tons Shaanxi Dideu Medichem Co. Ltd
2-METHYL-5-NITROBENZONITRILE 5-NITRO-2-METHYLBENZONITRILE AKOS BBS-00000038 4-Nitro-2-cyanotoluene 2-methyl-5-nitro-benzenecarbonitrile 2-Cyano-4-nitrotoluene, 3-Cyano-4-methylnitrobenzene Methyl-5-nitrobenzonitrile 2-Methyl-5-nitrobenzonitrile > Benzonitrile, 2-methyl-5-nitro- 2-METHYL-5-NITROBENZONITRILE ISO 9001：2015 REACH 2-Methyl-5-nitrobenzonitrile-98% 5-NITRO-O-TOLUNITRILE 939-83-3 Organic Building Blocks Nitrogen Compounds Cyanides/Nitriles Building Blocks C8 to C9 Aromatic Nitriles Phenyls & Phenyl-Het Phenyls & Phenyl-Het
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