Cas no 118665-00-2 (1,5-dichloro-3-methyl-2-nitro-benzene)

1,5-Dichloro-3-methyl-2-nitro-benzene is a substituted aromatic compound with the molecular formula C?H?Cl?NO?. It features a benzene ring functionalized with two chlorine atoms at the 1 and 5 positions, a methyl group at the 3 position, and a nitro group at the 2 position. This structure confers stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for agrochemicals and pharmaceuticals. The electron-withdrawing nitro and chloro groups enhance its suitability for nucleophilic substitution reactions, while the methyl group can influence steric and electronic properties. Its well-defined reactivity profile and purity make it a reliable building block for specialized chemical applications.
1,5-dichloro-3-methyl-2-nitro-benzene structure
118665-00-2 structure
Product Name:1,5-dichloro-3-methyl-2-nitro-benzene
CAS No:118665-00-2
MF:C7H5Cl2NO2
MW:206.026099920273
MDL:MFCD11878022
CID:830856
PubChem ID:10058794
Update Time:2025-10-28

1,5-dichloro-3-methyl-2-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 1,5-Dichloro-3-methyl-2-nitrobenzene
    • 3,5-DICHLORO-2-NITROTOLUENE
    • 1,5-Dichloro-3-methyl -2-nitro benzene
    • Benzene, 1,5-dichloro-3-methyl-2-nitro-
    • 2,4-dichloro-6-methylnitrobenzene
    • PubChem24055
    • KSC914K3D
    • CL8826
    • AM83061
    • MB10647
    • FCH1407593
    • AX8217400
    • AB0035002
    • ST2408488
    • X9267
    • 1,5-dichloro-3-methyl-2-nitro-benzene
    • DB-354225
    • DS-1385
    • DTXSID00434881
    • 1 pound not5-Dichloro-3-methyl-2-nitrobenzene
    • CS-W021290
    • SCHEMBL12661870
    • 118665-00-2
    • AKOS015891006
    • MFCD11878022
    • MDL: MFCD11878022
    • Inchi: 1S/C7H5Cl2NO2/c1-4-2-5(8)3-6(9)7(4)10(11)12/h2-3H,1H3
    • InChI Key: SGSOOBQNRQUSIL-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC(C)=C1[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 204.97000
  • Monoisotopic Mass: 204.9697338g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Density: 1.456±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 287.6±35.0 oC (760 Torr),
  • Flash Point: 127.7±25.9 oC,
  • Solubility: Almost insoluble (0.039 g/l) (25 o C),
  • PSA: 45.82000
  • LogP: 3.73320

1,5-dichloro-3-methyl-2-nitro-benzene 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%

1,5-dichloro-3-methyl-2-nitro-benzene Pricemore >>

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abcr
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1,5-dichloro-3-methyl-2-nitro-benzene Production Method

Additional information on 1,5-dichloro-3-methyl-2-nitro-benzene

1,5-Dichloro-3-methyl-2-nitro-benzene: Properties, Applications, and Market Insights

1,5-Dichloro-3-methyl-2-nitro-benzene (CAS No. 118665-00-2) is a specialized aromatic compound with significant industrial relevance. This chlorinated nitrobenzene derivative features a unique molecular structure combining methyl, nitro, and chlorine substituents, making it valuable for various synthetic applications. Its systematic IUPAC name reflects the precise positioning of functional groups on the benzene ring, which directly influences its reactivity and physical properties.

The compound typically appears as a yellow crystalline solid at room temperature, with moderate solubility in organic solvents like ethanol, ether, and chlorinated hydrocarbons. Its molecular weight of 220.04 g/mol and specific substitution pattern contribute to distinct spectroscopic characteristics, including characteristic peaks in NMR and IR spectra that facilitate identification. The presence of both electron-withdrawing (nitro) and electron-donating (methyl) groups creates interesting electronic effects that influence its chemical behavior.

In industrial applications, 1,5-dichloro-3-methyl-2-nitrobenzene serves as a crucial intermediate in the synthesis of more complex molecules. Recent trends show growing interest in its use for developing advanced agrochemicals and specialty dyes, particularly in formulations requiring selective reactivity. The compound's stability under various conditions makes it suitable for multi-step synthetic processes, a feature increasingly valued in pharmaceutical research where scaffold diversification is essential.

Market analysis reveals steady demand for nitroaromatic compounds like 1,5-dichloro-3-methyl-2-nitro-benzene, driven by innovations in material science and fine chemical production. Manufacturers are optimizing synthesis routes to improve yield and purity, responding to stringent quality requirements from end-users. The global supply chain for such intermediates has shown resilience despite logistical challenges, with Asia emerging as a key production hub for cost-effective, high-quality batches.

Environmental and safety considerations for handling CAS 118665-00-2 follow standard protocols for nitroaromatic compounds. Proper storage conditions—typically cool, dry environments away from incompatible substances—ensure material stability. While not classified as highly hazardous, prudent laboratory practices recommend using appropriate personal protective equipment during handling, reflecting the industry's commitment to responsible chemical management.

Research publications highlight novel applications of 1,5-dichloro-3-methyl-2-nitrobenzene derivatives in electronic materials and catalysis. Its structural motifs appear in studies exploring charge-transfer complexes and liquid crystal technologies, areas gaining traction in renewable energy and display industries. These emerging applications demonstrate how traditional intermediates find new roles in cutting-edge technologies.

Quality specifications for commercial 1,5-dichloro-3-methyl-2-nitro-benzene typically require ≥98% purity, verified by HPLC or GC analysis. Impurity profiles are carefully controlled, particularly regarding isomer content, as even minor contaminants can significantly impact downstream reactions. Leading suppliers provide comprehensive technical data sheets and certificates of analysis to support quality-sensitive applications.

From a regulatory perspective, the compound falls under general chemical safety protocols rather than specific restrictions. However, manufacturers and users must stay informed about evolving chemical regulations, especially concerning nitroaromatic compounds. The REACH compliance status and appropriate transportation classifications should be verified for international shipments.

Synthetic methodologies for producing CAS 118665-00-2 continue to evolve, with recent literature describing improved nitration techniques and greener solvent systems. These advancements address both economic and environmental considerations, reflecting the chemical industry's dual focus on efficiency and sustainability. Process optimization studies frequently appear in chemical engineering journals, indicating ongoing academic and industrial interest.

The price trajectory for 1,5-dichloro-3-methyl-2-nitrobenzene has shown moderate fluctuations tied to raw material costs and regional production capacities. Bulk purchasers typically negotiate contracts based on volume and purity requirements, with prices varying significantly between laboratory-scale and industrial quantities. Market intelligence suggests stable demand through 2025, particularly from the agrochemical sector.

Analytical characterization of this compound employs standard techniques including melting point determination, chromatographic methods, and spectroscopic analysis. Researchers emphasize the importance of complete spectral data (1H NMR, 13C NMR, IR, and mass spectra) for proper identification, especially when working with isomeric mixtures or developing new synthetic routes.

In conclusion, 1,5-dichloro-3-methyl-2-nitro-benzene represents an important building block in modern chemical synthesis. Its balanced reactivity profile, commercial availability, and versatility ensure continued relevance across multiple industries. As research uncovers new applications and synthetic methods, this compound will likely maintain its position as a valuable intermediate in specialty chemical manufacturing.

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