Cas no 2976-30-9 (1-(Methylsulfonyl)-4-nitrobenzene)

1-(Methylsulfonyl)-4-nitrobenzene is a sulfone derivative characterized by the presence of a methylsulfonyl group and a nitro substituent on a benzene ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-withdrawing properties make it valuable in nucleophilic aromatic substitution reactions and as a building block for more complex structures. The methylsulfonyl group enhances stability and reactivity, while the nitro group facilitates further functionalization. The compound is typically handled under controlled conditions due to its potential sensitivity. Its well-defined structure and reactivity profile make it a reliable choice for research and industrial applications requiring precise synthetic modifications.

1-(Methylsulfonyl)-4-nitrobenzene structure

2976-30-9 structure

Product Name:1-(Methylsulfonyl)-4-nitrobenzene

CAS No:2976-30-9

MF:C₇H₇NO₄S

MW:201.199780702591

MDL:MFCD00047803

CID:84549

PubChem ID:258434

Update Time:2025-11-01

1-(Methylsulfonyl)-4-nitrobenzene Chemical and Physical Properties

Names and Identifiers

- 1-(Methylsulfonyl)-4-nitrobenzene
- 1-Methylsulfonyl-4-nitrobenzene
- 1-Methanesulfonyl-4-nitrobenzene
- Sulfone,methyl p-nitrophenyl
- DTXSID10293128
- Benzene, 1-(methylsulfonyl)-4-nitro-
- MFCD00047803
- NCIOpen2_005288
- XONGBDXIFQIQBN-UHFFFAOYSA-
- NSC87342
- Sulfone, methyl p-nitrophenyl
- Benzene,1-(methylsulfonyl)-4-nitro-
- AS-62943
- 2976-30-9
- 1-methanesulfonyl-4-nitro-benzene
- Methyl p-nitrophenyl sulfone
- SCHEMBL515001
- FT-0605836
- 4-methylsulfonyl nitrobenzene
- CHEMBL4593228
- 4-(Methylsulfonyl)nitrobenzene
- J-503572
- AKOS001051678
- HMS559F13
- InChI=1/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
- Maybridge1_006283
- CS-0207061
- 4-Methylsulfonyl-nitrobenzene
- 1-(methylsulphonyl)-4-nitrobenzene
- NSC-87342
- 1-(Methylsulfonyl)-4-nitrobenzene #
- 4-methylsulfonylnitrobenzene
- Z56913108
- A15986
- Methyl 4-nitrophenyl sulfone
- G77643
- STK687643
- DB-047645
- MDL： MFCD00047803
- Inchi： 1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
- InChI Key： XONGBDXIFQIQBN-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(=CC=1)[N+](=O)[O-])(=O)=O

Computed Properties

Exact Mass: 201.01000
Monoisotopic Mass: 201.01
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 13
Rotatable Bond Count: 2
Complexity: 279
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: nothing
XLogP3: nothing
Topological Polar Surface Area: 88.3A^2

Experimental Properties

Density: 1.406
Melting Point: 136-138 oC
Boiling Point: 402.2 °C at 760 mmHg
Flash Point: 197.1 °C
Refractive Index: 1.559
PSA: 88.34000
LogP: 2.60230

1-(Methylsulfonyl)-4-nitrobenzene Security Information

Hazard Category Code： R20/21/22;R36/37/38
Safety Instruction： S24/25
Hazardous Material Identification：
Safety Term：S24/25
Risk Phrases：R20/21/22

1-(Methylsulfonyl)-4-nitrobenzene Customs Data

HS CODE：2904909090
Customs Data：

China Customs Code:
2904909090

Overview:

2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-(Methylsulfonyl)-4-nitrobenzene Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A019088336-100g	1-(Methylsulfonyl)-4-nitrobenzene	2976-30-9	95%	100g	$500.50	2023-09-02
Fluorochem	034288-1g	1-Methanesulfonyl-4-nitrobenzene	2976-30-9	97%	1g	￡15.00	2022-03-01
Fluorochem	034288-5g	1-Methanesulfonyl-4-nitrobenzene	2976-30-9	97%	5g	￡54.00	2022-03-01
Fluorochem	034288-25g	1-Methanesulfonyl-4-nitrobenzene	2976-30-9	97%	25g	￡163.00	2022-03-01
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	M914577-250mg	1-Methylsulfonyl-4-nitrobenzene	2976-30-9	97%	250mg	288.00	2021-05-17
eNovation Chemicals LLC	D764518-1g	Benzene, 1-(methylsulfonyl)-4-nitro-	2976-30-9	97%	1g	$130	2023-09-02
abcr	AB226627-5 g	1-(Methylsulfonyl)-4-nitrobenzene, 97%; .	2976-30-9	97%	5 g	€149.10	2023-07-20
abcr	AB226627-10 g	1-(Methylsulfonyl)-4-nitrobenzene, 97%; .	2976-30-9	97%	10 g	€220.50	2023-07-20
TRC	M220210-10mg	1-(Methylsulfonyl)-4-nitrobenzene	2976-30-9		10mg	$ 50.00	2022-06-04
TRC	M220210-50mg	1-(Methylsulfonyl)-4-nitrobenzene	2976-30-9		50mg	$ 65.00	2022-06-04

1-(Methylsulfonyl)-4-nitrobenzene Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:2976-30-9)1-(Methylsulfonyl)-4-nitrobenzene

Order Number:A15986

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Monday, 2 September 2024 16:00

Price ($):450.0

Email:[email protected]

Product Official Link

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Additional information on 1-(Methylsulfonyl)-4-nitrobenzene

Comprehensive Overview of 1-(Methylsulfonyl)-4-nitrobenzene (CAS No. 2976-30-9): Properties, Applications, and Industry Insights

1-(Methylsulfonyl)-4-nitrobenzene (CAS No. 2976-30-9), also known as 4-nitrobenzenesulfonylmethane, is a specialized organic compound with a molecular formula of C₇H₇NO₄S. This yellow crystalline solid is widely recognized for its unique chemical properties, including a melting point of 120–122°C and solubility in polar solvents like dimethyl sulfoxide (DMSO) and acetone. Its methylsulfonyl and nitro functional groups make it a versatile intermediate in synthetic chemistry, particularly in pharmaceuticals, agrochemicals, and advanced material research.

The growing demand for sulfone derivatives in drug discovery has spotlighted 1-(Methylsulfonyl)-4-nitrobenzene as a key building block. Researchers frequently explore its role in cross-coupling reactions and nucleophilic substitutions, which are critical for developing bioactive molecules. Recent studies highlight its utility in creating antimicrobial agents and kinase inhibitors, aligning with the pharmaceutical industry's focus on targeted therapies. Additionally, its electron-withdrawing properties are leveraged in materials science to design high-performance polymers and organic semiconductors.

From an industrial perspective, CAS No. 2976-30-9 is synthesized through controlled nitration and sulfonylation reactions, ensuring high purity for lab-scale and commercial applications. Environmental and safety considerations are paramount, with manufacturers adhering to REACH and GMP guidelines. Analytical techniques like HPLC and NMR spectroscopy are employed to verify its structural integrity, addressing quality concerns raised by academic and industrial users.

Emerging trends in green chemistry have spurred interest in optimizing the synthesis of 1-(Methylsulfonyl)-4-nitrobenzene to reduce waste and energy consumption. Innovations such as catalytic nitration and solvent-free reactions are being explored to enhance sustainability. Furthermore, its potential in photocatalysis and electrochemical applications is under investigation, reflecting broader shifts toward renewable energy technologies.

For researchers sourcing 2976-30-9, factors like supplier reliability, batch consistency, and regulatory compliance are critical. FAQs often revolve around its storage conditions (recommended: 2–8°C in airtight containers) and handling precautions (use of PPE). The compound’s MSDS provides detailed safety data, ensuring alignment with laboratory best practices.

In summary, 1-(Methylsulfonyl)-4-nitrobenzene exemplifies the intersection of synthetic utility and industrial relevance. Its applications span life sciences, materials engineering, and sustainable chemistry, making it a compound of enduring interest. As research advances, its role in next-generation technologies is poised to expand, offering exciting opportunities for innovation.

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