Cas no 16582-38-0 (3-Chloro-5-nitrotoluene)

3-Chloro-5-nitrotoluene is a halogenated aromatic compound characterized by the presence of both chloro and nitro substituents on a toluene backbone. This structure imparts reactivity suitable for use as an intermediate in organic synthesis, particularly in the production of dyes, agrochemicals, and pharmaceuticals. The electron-withdrawing effects of the nitro group enhance its utility in electrophilic substitution reactions, while the chloro group offers further functionalization potential. Its stability under standard conditions and well-defined chemical properties make it a reliable precursor in multi-step synthetic pathways. Proper handling is advised due to its potential irritant properties and sensitivity to heat or incompatible reagents.
3-Chloro-5-nitrotoluene structure
3-Chloro-5-nitrotoluene structure
Product Name:3-Chloro-5-nitrotoluene
CAS No:16582-38-0
MF:C7H6ClNO2
MW:171.581040859222
MDL:MFCD09955417
CID:184000
PubChem ID:297887
Update Time:2025-11-02

3-Chloro-5-nitrotoluene Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-3-methyl-5-nitrobenzene
    • 1-chloro-3-methyl-5-nitro-benzene
    • 3-CHLORO-5-NITROTOLUENE
    • Benzene,1-chloro-3-methyl-5-nitro-
    • 5-Chloro-3-nitrotoluene
    • NSC 169207
    • 3-Chlor-5-nitrotoluene
    • Benzene, 1-chloro-3-methyl-5-nitro-
    • Toluene, 3-chloro-5-nitro-
    • NSC169207
    • 3-chloro-5-nitro-toluene
    • KSC497G9N
    • IYHHGLULQDOFGC-UHFFFAOYSA-N
    • CL8832
    • 8420AA
    • 1-chloranyl-3-methyl-5-n
    • AS-46116
    • EN300-7060548
    • NSC-169207
    • SY020703
    • DTXSID70305135
    • 16582-38-0
    • MFCD09955417
    • A810667
    • AKOS005145633
    • SCHEMBL2381051
    • CS-0153264
    • FT-0658614
    • 1-chloro-3-methyl-5-nitro-benzene;3-Chloro-5-nitrotoluene
    • 5-Chloro-3-nitrotoluene;3-CHLORO-5-NITROTOLUENE
    • DB-012921
    • 3-Chloro-5-nitrotoluene
    • MDL: MFCD09955417
    • Inchi: 1S/C7H6ClNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
    • InChI Key: IYHHGLULQDOFGC-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 171.00900
  • Monoisotopic Mass: 171.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 157
  • 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
  • Topological Polar Surface Area: 45.8
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.324
  • Melting Point: 54-55 oC
  • Boiling Point: 253 oC
  • Flash Point: 107 oC
  • Refractive Index: 1.
  • PSA: 45.82000
  • LogP: 3.07980
  • Vapor Pressure: No data available

3-Chloro-5-nitrotoluene Security Information

3-Chloro-5-nitrotoluene 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%

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3-Chloro-5-nitrotoluene Production Method

3-Chloro-5-nitrotoluene Related Literature

Additional information on 3-Chloro-5-nitrotoluene

3-Chloro-5-nitrotoluene (CAS No. 16582-38-0): Properties, Applications, and Market Insights

3-Chloro-5-nitrotoluene (CAS No. 16582-38-0) is a specialized aromatic compound widely used in organic synthesis and industrial applications. This yellow crystalline solid belongs to the nitrotoluene family and is valued for its unique chemical properties. With the growing demand for fine chemicals in pharmaceuticals, agrochemicals, and material science, understanding this compound's characteristics has become increasingly important for researchers and industry professionals.

The molecular structure of 3-Chloro-5-nitrotoluene combines a toluene backbone with strategically positioned chloro and nitro functional groups. This configuration gives the compound distinct reactivity patterns that make it valuable for various synthetic transformations. Recent studies highlight its potential as a building block in pharmaceutical intermediates, particularly in the development of novel therapeutic agents. The compound's nitrotoluene derivative nature contributes to its electron-withdrawing properties, which are crucial in many electrophilic substitution reactions.

From an industrial perspective, 3-Chloro-5-nitrotoluene CAS 16582-38-0 serves as a key intermediate in the production of dyes, pigments, and specialty chemicals. Its applications extend to the synthesis of complex organic molecules where the chloro and nitro groups act as directing elements for subsequent chemical modifications. The compound's stability under various conditions makes it particularly useful in multi-step synthetic processes, a feature that has attracted attention from material scientists exploring advanced polymeric materials.

The synthesis of 3-Chloro-5-nitrotoluene typically involves the controlled nitration of 3-chlorotoluene, followed by precise purification steps to achieve high purity grades. Manufacturers have developed optimized processes to ensure consistent quality, with purity levels often exceeding 98% for research-grade material. Analytical techniques such as HPLC, GC-MS, and NMR spectroscopy are routinely employed to verify the compound's identity and assess its quality parameters, meeting the stringent requirements of modern chemical industries.

Recent market analysis indicates growing interest in nitrotoluene derivatives like 3-Chloro-5-nitrotoluene, driven by expanding applications in specialty chemicals. The compound's versatility has led to its inclusion in research programs focusing on sustainable chemistry approaches. Scientists are particularly interested in its potential role in green chemistry initiatives, where its selective reactivity could contribute to more efficient synthetic routes with reduced environmental impact.

Safety considerations for handling 3-Chloro-5-nitrotoluene (16582-38-0) follow standard laboratory protocols for aromatic nitro compounds. Proper personal protective equipment, including gloves and eye protection, is recommended when working with this material. Storage typically involves keeping the compound in a cool, dry place away from incompatible substances. These handling procedures align with general chemical safety practices while ensuring the compound's stability and shelf life.

The analytical characterization of 3-Chloro-5-nitrotoluene reveals important physical properties that influence its applications. With a molecular weight of 171.57 g/mol and characteristic melting point range, these parameters are critical for process optimization in industrial settings. Spectroscopic data, including infrared absorption bands and NMR chemical shifts, provide valuable fingerprints for quality control and compound identification in research and manufacturing environments.

Emerging research directions for 3-Chloro-5-nitrotoluene CAS No. 16582-38-0 include its potential in catalysis and material science applications. Some studies explore its use as a ligand precursor in transition metal complexes, while others investigate its incorporation into advanced material matrices. These developments reflect the compound's growing importance beyond traditional applications, positioning it as a versatile tool in modern chemical innovation.

From a commercial availability standpoint, 3-Chloro-5-nitrotoluene is supplied by several specialty chemical manufacturers in various quantities and purity grades. Pricing trends show moderate stability, with fluctuations tied to raw material costs and demand from end-use industries. Procurement specialists often evaluate suppliers based on consistency, technical support, and regulatory compliance, factors that have become increasingly important in the global chemical supply chain.

Environmental considerations for 3-Chloro-5-nitrotoluene derivatives have led to improved waste management strategies in industrial applications. Research into biodegradation pathways and treatment methods continues to advance, supporting more sustainable use of this chemical intermediate. These efforts align with broader industry trends toward responsible chemical management and circular economy principles in specialty chemical production.

The future outlook for 3-Chloro-5-nitrotoluene (16582-38-0) appears positive, with anticipated growth in research and industrial applications. As synthetic methodologies evolve and new applications emerge, this compound is likely to maintain its relevance in organic chemistry and related fields. Ongoing developments in analytical techniques and process optimization will further enhance its utility across various chemical sectors.

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