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2-METHYL-5-NITROBENZONITRILE

Product Name
2-METHYL-5-NITROBENZONITRILE
CAS No.
939-83-3
Chemical Name
2-METHYL-5-NITROBENZONITRILE
Synonyms
AKOS BBS-00000038;5-NITRO-O-TOLUNITRILE;4-Nitro-2-cyanotoluene;Methyl-5-nitrobenzonitrile;5-NITRO-2-METHYLBENZONITRILE;2-METHYL-5-NITROBENZONITRILE;Benzonitrile, 2-methyl-5-nitro-;2-Methyl-5-nitrobenzonitrile >2-Methyl-5-nitrobenzonitrile-98%;2-methyl-5-nitro-benzenecarbonitrile
CBNumber
CB9441770
Molecular Formula
C8H6N2O2
Formula Weight
162.15
MOL File
939-83-3.mol
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2-METHYL-5-NITROBENZONITRILE Property

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
CAS DataBase Reference
939-83-3(CAS DataBase Reference)
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Safety

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
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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
345016
Product name
2-Methyl-5-nitrobenzonitrile
Purity
97%
Packaging
5g
Price
$77.2
Updated
2023/06/20
TCI Chemical
Product number
M2570
Product name
2-Methyl-5-nitrobenzonitrile
Purity
>98.0%(GC)
Packaging
5g
Price
$35
Updated
2025/07/31
TCI Chemical
Product number
M2570
Product name
2-Methyl-5-nitrobenzonitrile
Purity
>98.0%(GC)
Packaging
25g
Price
$101
Updated
2025/07/31
TRC
Product number
M220815
Product name
2-Methyl-5-nitrobenzonitrile
Packaging
250mg
Price
$45
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC55025
Product name
3-Cyano-4-methylnitrobenzene
Packaging
5G
Price
$50.1
Updated
2021/12/16
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2-METHYL-5-NITROBENZONITRILE Chemical Properties,Usage,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

7745-93-9

557-21-1

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

Raw materials

Nitric acid o-Tolunitrile Sulfuric acid

Preparation Products

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2-METHYL-5-NITROBENZONITRILE Suppliers

Americas 1 Belgium 2 China 96 Europe 1 France 1 Germany 8 India 20 Japan 3 Switzerland 2 The Netherlands 1 Ukraine 1 United Kingdom 14 United States 35 Global 185
J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
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86-10-82849933
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jkinfo@jkchemical.com
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China
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INTATRADE GmbH
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+49 3493/605464
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+49 3493/605470
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sales@intatrade.de
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Germany
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ChemFuture PharmaTech (Jiangsu) Ltd
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5108538618
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86 510 85386988-8017
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suger.wang@chemfuture.com
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China
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Alfa Aesar
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400-6106006
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021-67582001/03/05
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saleschina@alfa-asia.com
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China
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Ark Pharm, Inc.
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847-367-3680
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847-367-3681
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sales@arkpharminc.com
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United States
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Energy Chemical
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Shijiazhuang Sdyano Fine Chemical Co., Ltd.
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0311-89250318 031166536426
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master@sjzsdyn.com
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JinYan Chemicals(ShangHai) Co.,Ltd.
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13817811078
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86-021-50426522,50426273
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sales@jingyan-chemical.com
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China
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9976
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Accela ChemBio Co.,Ltd.
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021-50795510 4000665055
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021-50795055
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sales@accelachem.com
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China
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Shanghai Longsheng chemical Co.,Ltd.
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021-58099652-8005 13585536065
Fax
021-58099609
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bin.wu@shlschem.com
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China
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View Lastest Price from 2-METHYL-5-NITROBENZONITRILE manufacturers

Henan Fengda Chemical Co., Ltd
Product
2-METHYL-5-NITROBENZONITRILE 939-83-3
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
Shaanxi Dideu Medichem Co. Ltd
Product
2-Methyl-5-nitrobenzonitrile 939-83-3
Price
US $0.00-0.00/Kg
Min. Order
1KG
Purity
99.0%
Supply Ability
100 tons
Release date
2020-01-10
Career Henan Chemical Co
Product
2-METHYL-5-NITROBENZONITRILE 939-83-3
Price
US $1.00/KG
Min. Order
1KG
Purity
97-99%
Supply Ability
1000KGS
Release date
2019-12-18

939-83-3, 2-METHYL-5-NITROBENZONITRILERelated Search:

4-Nitrophthalonitrile 4-METHYL-3-NITROBENZONITRILE 3-METHYL-4-NITROBENZONITRILE 2-METHYL-5-NITROBENZONITRILE 2-METHYL-6-NITROBENZONITRILE 4-METHYL-2-NITROBENZONITRILE o-Tolunitrile 2-(BROMOMETHYL)-5-NITROBENZONITRILE 2-Trifluoromethyl-5-Nitrobenzonitrile 2-CYANO-4,6-DINITRO-1-METHYLBENZENE 3-Methyl-5-nitrobenzonitrile 2-METHYL-4-NITROBENZONITRILE 98 4-BROMO-3-METHYL-5-NITROBENZONITRILE 5-CHLORO-4-METHYL-2-NITROBENZONITRILE 2-cyano-4-nitrobenzoic acid 2-METHYL-3-NITROBENZONITRILE 6-METHYL-2-NITROBENZONITRILE 4-AMINO-5-NITROPHTHALONITRILE

  • 2-METHYL-5-NITROBENZONITRILE
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  • AKOS BBS-00000038
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  • 2-methyl-5-nitro-benzenecarbonitrile
  • 2-Cyano-4-nitrotoluene, 3-Cyano-4-methylnitrobenzene
  • Methyl-5-nitrobenzonitrile
  • 2-Methyl-5-nitrobenzonitrile &gt
  • Benzonitrile, 2-methyl-5-nitro-
  • 2-METHYL-5-NITROBENZONITRILE ISO 9001：2015 REACH
  • 2-Methyl-5-nitrobenzonitrile-98%
  • 939-83-3
  • Organic Building Blocks
  • Nitrogen Compounds
  • Cyanides/Nitriles
  • Building Blocks
  • C8 to C9
  • Aromatic Nitriles
  • Phenyls & Phenyl-Het
  • Phenyls & Phenyl-Het