Cas no 124289-22-1 (3-Methyl-5-nitrobenzonitrile)

3-Methyl-5-nitrobenzonitrile is a nitrile-substituted aromatic compound featuring both a methyl and a nitro functional group on the benzene ring. This structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The electron-withdrawing nitro group enhances reactivity in electrophilic substitution reactions, while the nitrile group offers versatility for further functionalization. Its well-defined molecular architecture ensures consistent performance in multi-step synthetic routes. The compound is characterized by high purity and stability, making it suitable for demanding applications in research and industrial processes. Proper handling is advised due to potential sensitivity under reactive conditions.

3-Methyl-5-nitrobenzonitrile structure

Product Name:3-Methyl-5-nitrobenzonitrile

CAS No:124289-22-1

MF:C₈H₆N₂O₂

MW:162.145441532135

MDL:MFCD17170423

CID:1026548

PubChem ID:14567859

Update Time:2025-06-07

3-Methyl-5-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

- 3-Methyl-5-nitrobenzonitrile
- MDL： MFCD17170423
- Inchi： 1S/C8H6N2O2/c1-6-2-7(5-9)4-8(3-6)10(11)12/h2-4H,1H3
- InChI Key： WEWBXIHWZDLYSN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(C#N)=CC(C)=C1)=O

Computed Properties

Exact Mass: 162.04300
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 12
Rotatable Bond Count: 1

Experimental Properties

Density: 1.26±0.1 g/cm3 (20 oC 760 Torr),
Melting Point: 104-105 oC
Boiling Point: 292.1±28.0 oC (760 Torr),
Flash Point: 130.5±24.0 oC,
Solubility: Very slightly soluble (0.29 g/l) (25 o C),
PSA: 69.61000
LogP: 2.29808

3-Methyl-5-nitrobenzonitrile Customs Data

HS CODE：2926909090
Customs Data：

China Customs Code:
2926909090

Overview:

2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Methyl-5-nitrobenzonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	092063-250mg	3-Methyl-5-nitrobenzonitrile	124289-22-1	95%	250mg	￡34.00	2022-03-01
Fluorochem	092063-5g	3-Methyl-5-nitrobenzonitrile	124289-22-1	95%	5g	￡200.00	2022-03-01
Fluorochem	092063-25g	3-Methyl-5-nitrobenzonitrile	124289-22-1	95%	25g	￡798.00	2022-03-01
Chemenu	CM157427-1g	3-Methyl-5-nitrobenzonitrile	124289-22-1	95%	1g	$102	2021-06-17
Chemenu	CM157427-5g	3-Methyl-5-nitrobenzonitrile	124289-22-1	95%	5g	$281	2021-06-17
TRC	M339853-50mg	3-Methyl-5-nitrobenzonitrile	124289-22-1		50mg	$ 50.00	2022-06-03
TRC	M339853-100mg	3-Methyl-5-nitrobenzonitrile	124289-22-1		100mg	$ 65.00	2022-06-03
TRC	M339853-500mg	3-Methyl-5-nitrobenzonitrile	124289-22-1		500mg	$ 135.00	2022-06-03
Fluorochem	092063-1g	3-Methyl-5-nitrobenzonitrile	124289-22-1	95%	1g	￡68.00	2022-03-01
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	M847488-1g	3-Methyl-5-nitrobenzonitrile	124289-22-1	95%	1g	￥538.20	2022-09-01

3-Methyl-5-nitrobenzonitrile Production Method

Production Method 1

124289-22-1

64113-86-6

96784-54-2

Reaction Conditions

1.1 Reagents: Ozone , Nitrogen dioxide Solvents: Acetonitrile ; 3 h, -10 °C

Reference

: Nitration of moderately deactivated arenes with nitrogen dioxide and molecular oxygen under neutral conditions. Zeolite-induced enhancement of regioselectivity and reversal of isomer ratios

Peng, Xinhua; Fukui, Naoyuki; Mizuta, Masayuki; Suzuki, Hitomi, Organic & Biomolecular Chemistry, 2003, 1(13), 2326-2335

3-Methyl-5-nitrobenzonitrile Preparation Products

3-Methyl-5-nitrobenzonitrile Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:124289-22-1)3-Methyl-5-nitrobenzonitrile

Order Number:A24150

Stock Status:in Stock

Quantity:10g

Purity:99%

Pricing Information Last Updated:Monday, 2 September 2024 16:02

Price ($):225.0

Email:[email protected]

Product Official Link

3-Methyl-5-nitrobenzonitrile Related Literature

1. An arsenic trioxide nanoparticle prodrug (ATONP) potentiates a therapeutic effect on an aggressive hepatocellular carcinoma model via enhancement of intratumoral arsenic accumulation and disturbance of the tumor microenvironment?

Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
2. An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage

Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
3. An asymmetric supercapacitor based on controllable WO3 nanorod bundle and alfalfa-derived porous carbon?

Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
4. An anti-leakage liquid metal thermal interface material

Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
5. An integrated digital microfluidic chip for multiplexed proteomic sample preparation and analysis by MALDI-MS?

Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219

Related Categories

124289-22-1 (3-Methyl-5-nitrobenzonitrile) Related Products

Recommended suppliers