Cas no 51123-59-2 (3-Chloro-2-methyl-6-nitroaniline)

3-Chloro-2-methyl-6-nitroaniline is a nitro-substituted aniline derivative with a molecular formula of C?H?ClN?O?. This compound features a chloro and methyl group adjacent to the amino functionality, along with a nitro group at the para position relative to the amine. Its distinct substitution pattern makes it a valuable intermediate in organic synthesis, particularly in the preparation of dyes, agrochemicals, and pharmaceuticals. The nitro and chloro groups enhance its reactivity, enabling selective functionalization in coupling and substitution reactions. The compound is typically characterized by moderate stability under standard conditions, though it should be handled with care due to potential sensitivity to light and heat. Its purity and structural specificity ensure consistent performance in synthetic applications.
3-Chloro-2-methyl-6-nitroaniline structure
51123-59-2 structure
Product Name:3-Chloro-2-methyl-6-nitroaniline
CAS No:51123-59-2
MF:C7H7ClN2O2
MW:186.595680475235
MDL:MFCD09026962
CID:840379
PubChem ID:12953020
Update Time:2025-06-07

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

Names and Identifiers

    • 3-Chloro-2-methyl-6-nitroaniline
    • 2-Amino-6-chloro-3-nitrotoluene
    • 3-chloro-2-methyl-6-nitrobenzenamine
    • ZFPIXTGBHCYNRN-UHFFFAOYSA-N
    • SY036891
    • AK100029
    • AB0050857
    • ST2417618
    • Z4816
    • EN300-253708
    • CS-0153676
    • XH1120
    • DA-42253
    • AKOS006289550
    • DS-2229
    • DTXSID90513790
    • SCHEMBL5510180
    • MFCD09026962
    • 51123-59-2
    • MDL: MFCD09026962
    • Inchi: 1S/C7H7ClN2O2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
    • InChI Key: ZFPIXTGBHCYNRN-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=C1C)N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 186.02000
  • Monoisotopic Mass: 186.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • 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: 2.6
  • Topological Polar Surface Area: 71.8

Experimental Properties

  • PSA: 71.84000
  • LogP: 3.24320

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

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280-P305+P351+P338
  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature

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

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3-Chloro-2-methyl-6-nitroaniline Production Method

Additional information on 3-Chloro-2-methyl-6-nitroaniline

Comprehensive Guide to 3-Chloro-2-methyl-6-nitroaniline (CAS No. 51123-59-2): Properties, Applications, and Industry Insights

3-Chloro-2-methyl-6-nitroaniline (CAS No. 51123-59-2) is a specialized organic compound widely recognized for its role in synthetic chemistry and industrial applications. This nitroaniline derivative features a unique molecular structure combining chloro, methyl, and nitro functional groups, making it a versatile intermediate in the production of dyes, agrochemicals, and pharmaceuticals. Its chemical stability and reactivity under controlled conditions have garnered significant attention from researchers and manufacturers alike.

In recent years, the demand for high-purity intermediates like 3-Chloro-2-methyl-6-nitroaniline has surged, driven by advancements in green chemistry and sustainable synthesis methods. Industry professionals frequently search for "CAS 51123-59-2 suppliers," "nitroaniline derivatives applications," or "safe handling of chlorinated aromatic amines," reflecting growing interest in both its utility and safety protocols. This compound’s compatibility with catalyzed reactions and photostability also positions it as a candidate for innovative material science projects.

The synthesis of 3-Chloro-2-methyl-6-nitroaniline typically involves nitration and chlorination steps, with stringent controls to ensure yield optimization and minimal byproducts. Analytical techniques such as HPLC and GC-MS are employed to verify its purity, a critical factor for end-users in the pharmaceutical intermediates sector. Discussions around "eco-friendly nitroaromatic synthesis" and "regulatory compliance for aromatic amines" further highlight its relevance in modern chemical workflows.

From an industrial perspective, 51123-59-2 is often utilized in the formulation of azo dyes and pigment precursors, where its nitro group facilitates vibrant color development. Researchers exploring "bioactive nitroaromatics" or "advanced organic synthesis routes" may find this compound particularly valuable for designing novel molecules with tailored properties. Its thermal decomposition profile and solubility in common organic solvents are additional points of technical interest.

As regulatory frameworks evolve, compliance with REACH and other global standards ensures the responsible use of 3-Chloro-2-methyl-6-nitroaniline. Innovations in waste reduction and energy-efficient synthesis continue to shape its production processes, aligning with the broader shift toward sustainable chemical manufacturing. For laboratories and enterprises, understanding its structure-activity relationships remains pivotal for unlocking new applications.

In summary, 3-Chloro-2-methyl-6-nitroaniline (CAS 51123-59-2) exemplifies the intersection of traditional chemistry and contemporary industrial needs. Its multifaceted roles—from enabling high-performance dyes to serving as a building block for advanced materials—underscore its enduring significance. Future research may focus on enhancing its synthetic accessibility or exploring niche applications in electronic materials, further solidifying its place in the chemical landscape.

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