Cas no 5345-42-6 (1-methoxy-3-methyl-2-nitrobenzene)

1-Methoxy-3-methyl-2-nitrobenzene is a nitro-substituted aromatic compound featuring a methoxy group at the 1-position and a methyl group at the 3-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-withdrawing nitro group and electron-donating methoxy group create a balanced electronic profile, facilitating selective functionalization in electrophilic and nucleophilic reactions. The compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its well-defined molecular architecture allows for precise control in synthetic pathways, making it a preferred choice for researchers seeking tailored aromatic derivatives.
1-methoxy-3-methyl-2-nitrobenzene structure
5345-42-6 structure
Product Name:1-methoxy-3-methyl-2-nitrobenzene
CAS No:5345-42-6
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD00007179
CID:45746
PubChem ID:87573156
Update Time:2025-11-02

1-methoxy-3-methyl-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Methoxy-3-methyl-2-nitrobenzene
    • 3-Methoxy-2-nitrotoluene
    • 3-Methyl-2-Nitroanisole
    • 2-Nitro-3-methylanisole
    • Benzene, 1-methoxy-3-methyl-2-nitro-
    • MGBRGNWARSQECY-UHFFFAOYSA-N
    • 2-METHOXY-6-METHYLNITROBENZENE
    • NSC3040
    • PubChem12903
    • Anisole, 3-methyl-2-nitro-
    • 3-methoxy-1-methyl-2-nitrobenzene
    • SBB008616
    • 1-Methoxy-3-me
    • EINECS 226-295-8
    • 1-Methoxy-3-methyl-2-nitrobenzene #
    • UNII-3DR52PKJ6C
    • Q-200387
    • N-(2,5-dimethylphenyl)-2,4,6-trimethyl-benzenesulfonamide;3-METHYL-2-NITROANISOLE
    • AR-362/43519166
    • N-hydroxy-2-methoxy-6-methyl-N-oxobenzenaminium
    • 3-Methyl-2-nitroanisole, 99%
    • NSC-3040
    • InChI=1/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H
    • AMY30223
    • AKOS015841986
    • EN300-78361
    • F0001-1389
    • A829604
    • NS00032761
    • PS-3419
    • MFCD00007179
    • NSC 3040
    • 5345-42-6
    • 2-Nitro-3-methoxytoluene
    • M1196
    • CS-W017845
    • FT-0616068
    • SCHEMBL1616513
    • 3DR52PKJ6C
    • DTXSID40201615
    • DB-013356
    • 1-methoxy-3-methyl-2-nitrobenzene
    • MDL: MFCD00007179
    • Inchi: 1S/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3
    • InChI Key: MGBRGNWARSQECY-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=CC(C)=C1[N+](=O)[O-]
    • BRN: 2329690

Computed Properties

  • Exact Mass: 167.05800
  • Monoisotopic Mass: 167.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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: 2.1
  • Topological Polar Surface Area: 55

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.2917 (rough estimate)
  • Melting Point: 48.0 to 51.0 deg-C
  • Boiling Point: 170°C/35mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.5570 (estimate)
  • PSA: 55.05000
  • LogP: 2.43500
  • Solubility: Not determined

1-methoxy-3-methyl-2-nitrobenzene Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264-P270-P301+P312+P330-P501
  • Hazardous Material transportation number:UN 2811
  • WGK Germany:3
  • Hazard Category Code: 22
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xn
  • Storage Condition:Room temperature
  • Risk Phrases:R22
  • Safety Term:S24/25

1-methoxy-3-methyl-2-nitrobenzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-methoxy-3-methyl-2-nitrobenzene Pricemore >>

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1-methoxy-3-methyl-2-nitrobenzene Production Method

1-methoxy-3-methyl-2-nitrobenzene Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:5345-42-6)3-Methyl-2-nitroanisole
Order Number:sfd4818
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:5345-42-6)3-甲基-2-硝基苯甲醚
Order Number:LE5699255
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:44
Price ($):discuss personally

1-methoxy-3-methyl-2-nitrobenzene Related Literature

Additional information on 1-methoxy-3-methyl-2-nitrobenzene

Comprehensive Overview of 1-Methoxy-3-methyl-2-nitrobenzene (CAS No. 5345-42-6)

1-Methoxy-3-methyl-2-nitrobenzene (CAS No. 5345-42-6) is a nitroaromatic compound widely utilized in organic synthesis and industrial applications. This compound, also referred to as 2-nitro-3-methylanisole, features a methoxy group (-OCH3) and a nitro group (-NO2) attached to a benzene ring, making it a versatile intermediate in the production of dyes, pharmaceuticals, and agrochemicals. Its molecular formula, C8H9NO3, and structural properties have garnered significant attention in research and development sectors.

The growing demand for nitroaromatic compounds like 1-methoxy-3-methyl-2-nitrobenzene is driven by their role in synthesizing high-value chemicals. Recent trends highlight its application in photoinitiators for UV-curable coatings, a hotspot in sustainable material science. Researchers are exploring its potential in green chemistry initiatives, aligning with global efforts to reduce environmental impact. Questions such as "What are the synthetic routes for 1-methoxy-3-methyl-2-nitrobenzene?" or "How is it used in agrochemical formulations?" frequently appear in scientific forums, reflecting its relevance.

From a technical perspective, CAS 5345-42-6 exhibits moderate solubility in organic solvents like ethanol and acetone, which facilitates its use in laboratory and industrial settings. Its melting point (≈35–38°C) and boiling point (≈280°C) make it suitable for controlled reactions. Analytical techniques such as HPLC and GC-MS are commonly employed to verify its purity, a critical factor for end-users. The compound’s stability under standard conditions further enhances its appeal for long-term storage and transportation.

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Environmental and safety considerations are also pivotal. While 1-methoxy-3-methyl-2-nitrobenzene is not classified as hazardous under major regulatory frameworks, proper handling protocols are recommended. Users often search for "MSDS for 5345-42-6" to ensure compliance with workplace safety standards. Its biodegradability and ecotoxicological profile remain under study, addressing the rising demand for eco-friendly chemical alternatives.

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Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:5345-42-6)3-Methyl-2-nitroanisole
sfd4818
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:5345-42-6)3-甲基-2-硝基苯甲醚
LE5699255
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email