Cas no 62790-50-5 (4-Chloro-2-methyl-6-nitroaniline)

4-Chloro-2-methyl-6-nitroaniline is a nitro-substituted aniline derivative with the molecular formula C?H?ClN?O?. This compound is characterized by its chloro and nitro functional groups, which impart reactivity useful in organic synthesis, particularly in the production of dyes, pigments, and agrochemical intermediates. Its crystalline solid form and well-defined structure ensure consistent performance in applications requiring precise chemical transformations. The presence of both electron-withdrawing (nitro) and electron-donating (methyl) groups enhances its versatility in electrophilic substitution reactions. High purity grades are available to meet stringent industrial requirements, making it a reliable intermediate for specialized synthetic processes. Proper handling is advised due to its potential sensitivity to heat and light.
4-Chloro-2-methyl-6-nitroaniline structure
62790-50-5 structure
Product Name:4-Chloro-2-methyl-6-nitroaniline
CAS No:62790-50-5
MF:C7H7ClN2O2
MW:186.595680475235
MDL:MFCD01320687
CID:90202
PubChem ID:182355
Update Time:2025-10-30

4-Chloro-2-methyl-6-nitroaniline Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-methyl-6-nitroaniline
    • 4-Chloro-6-nitro-o-toluidine
    • MFCD01320687
    • EN300-113929
    • DTXSID70211868
    • A8675
    • SCHEMBL203555
    • 4-chloro-2-methyl-6-nitrobenzenamine
    • 62790-50-5
    • GEO-00719
    • FT-0640852
    • AKOS000321694
    • CS-W016874
    • PS-5847
    • BB 0240512
    • AMY23993
    • 4-Chloro-2-methyl-6-nitroaniline, AldrichCPR
    • Benzenamine,4-chloro-2-methyl-6-nitro-
    • CL8442
    • 2-Amino-5-chloro-3-methylnitrobenzene
    • W-200467
    • Benzenamine, 4-chloro-2-methyl-6-nitro-
    • SY078813
    • 2-Amino-5-chloro-3-nitrotoluene
    • STK502790
    • DTXCID00134359
    • DB-054284
    • ALBB-003906
    • MDL: MFCD01320687
    • Inchi: 1S/C7H7ClN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
    • InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=C(C)C=1)N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 186.02000
  • Monoisotopic Mass: 186.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 71.8A^2

Experimental Properties

  • Color/Form: Orange crystals
  • Density: 1.415±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 121-123 oC
  • Boiling Point: 328.7 °C at 760 mmHg
  • Flash Point: 152.6 °C
  • Refractive Index: 1.5560 (estimate)
  • Solubility: Very slightly soluble (0.16 g/l) (25 o C),
  • PSA: 71.84000
  • LogP: 3.24320
  • Solubility: Not determined

4-Chloro-2-methyl-6-nitroaniline Security Information

  • Hazardous Material transportation number:2811
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S37/39-S26
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT
  • Risk Phrases:R36/37/38

4-Chloro-2-methyl-6-nitroaniline Customs Data

  • HS CODE:2921430090
  • Customs Data:

    China Customs Code:

    2921430090

    Overview:

    2921430090 Toluidine and its derivatives and their salts. 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, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union

    Summary:

    HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-Chloro-2-methyl-6-nitroaniline Pricemore >>

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Additional information on 4-Chloro-2-methyl-6-nitroaniline

Comprehensive Analysis of 4-Chloro-2-methyl-6-nitroaniline (CAS No. 62790-50-5): Properties, Applications, and Industry Trends

4-Chloro-2-methyl-6-nitroaniline (CAS 62790-50-5) is a specialized nitroaromatic compound with significant relevance in industrial and research applications. This chlorinated nitroaniline derivative features a unique molecular structure combining chloro, methyl, and nitro functional groups, making it valuable for synthetic chemistry and material science. With growing interest in fine chemical intermediates, this compound has garnered attention for its role in developing advanced dyes, agrochemicals, and pharmaceutical precursors.

The compound’s physicochemical properties include a molecular weight of 186.59 g/mol and a distinct yellow crystalline appearance. Its solubility profile—soluble in organic solvents like ethanol and acetone but poorly soluble in water—makes it ideal for controlled reactions. Researchers emphasize its thermal stability (decomposition point: ~200°C) and reactivity patterns, particularly in electrophilic substitution reactions. These traits align with current industry demands for high-performance intermediates in sustainable manufacturing processes.

In the context of green chemistry, 4-Chloro-2-methyl-6-nitroaniline is studied for optimized synthesis routes to minimize waste. A 2023 study highlighted its potential in catalyzed reduction reactions to yield eco-friendly amino derivatives. This aligns with global searches for "nitroaniline sustainable synthesis" and "green chemical intermediates," reflecting industry shifts toward environmentally conscious production.

Applications span multiple sectors: In dye manufacturing, it serves as a precursor for azo dyes with enhanced lightfastness. The agrochemical industry utilizes it to synthesize herbicides with improved selectivity. Notably, its derivatives are explored in electronic materials, such as organic semiconductors, responding to trends in "functionalized aromatic compounds for electronics."

Safety and handling protocols emphasize proper ventilation and PPE, addressing common queries like "nitroaniline storage guidelines." Regulatory compliance (e.g., REACH) ensures its safe commercial use. Analytical methods like HPLC and GC-MS are recommended for purity verification, a frequent concern in "CAS 62790-50-5 quality control" searches.

Market insights reveal rising demand in Asia-Pacific for specialty chemicals, driven by textile and electronics growth. Innovations in catalytic hydrogenation techniques further enhance its appeal. As industries prioritize multifunctional intermediates, 4-Chloro-2-methyl-6-nitroaniline remains a compound of strategic importance, bridging traditional chemistry and cutting-edge applications.

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