Cas no 57750-81-9 (4-Chloro-2-(chloromethyl)-1-nitrobenzene)

4-Chloro-2-(chloromethyl)-1-nitrobenzene structure
57750-81-9 structure
Product Name:4-Chloro-2-(chloromethyl)-1-nitrobenzene
CAS No:57750-81-9
MF:C7H5Cl2NO2
MW:206.026099920273
CID:1090321
PubChem ID:12595970
Update Time:2025-04-23

4-Chloro-2-(chloromethyl)-1-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-(chloromethyl)-1-nitrobenzene
    • 4-Chloro-2-chloromethyl-1-nitro-benzene
    • BS-32584
    • AKOS014097118
    • 57750-81-9
    • 4-nitro-3-chloromethylchlorobenzene
    • SCHEMBL67864
    • Benzene, 4-chloro-2-(chloromethyl)-1-nitro-
    • DTXSID20503821
    • VERWATQGJOEFMQ-UHFFFAOYSA-N
    • MDL: MFCD12025225
    • Inchi: 1S/C7H5Cl2NO2/c8-4-5-3-6(9)1-2-7(5)10(11)12/h1-3H,4H2
    • InChI Key: VERWATQGJOEFMQ-UHFFFAOYSA-N
    • SMILES: ClCC1C=C(C=CC=1[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 204.9697338g/mol
  • Monoisotopic Mass: 204.9697338g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 171
  • 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: 2.8
  • Topological Polar Surface Area: 45.8?2

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4-Chloro-2-(chloromethyl)-1-nitrobenzene Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:57750-81-9)4-Chloro-2-(chloromethyl)-1-nitrobenzene
Order Number:A1041158
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:10
Price ($):692.0

Additional information on 4-Chloro-2-(chloromethyl)-1-nitrobenzene

4-Chloro-2-(chloromethyl)-1-nitrobenzene (CAS No: 57750-81-9)

4-Chloro-2-(chloromethyl)-1-nitrobenzene, also known by its CAS No: 57750-81-9, is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique molecular structure, which includes a benzene ring substituted with chlorine, a chloromethyl group, and a nitro group. The combination of these functional groups imparts distinctive chemical properties, making it a valuable compound for research and industrial purposes.

The molecular formula of 4-Chloro-2-(chloromethyl)-1-nitrobenzene is C8H6Cl2N2O2, and its molecular weight is approximately 236.0 g/mol. The compound exists as a crystalline solid under standard conditions, with a melting point of around 95°C and a boiling point exceeding 300°C. Its solubility in common solvents such as water, ethanol, and dichloromethane has been extensively studied, making it suitable for various synthetic reactions.

The synthesis of 4-Chloro-2-(chloromethyl)-1-nitrobenzene typically involves multi-step organic reactions. One common approach includes the nitration of chlorobenzene derivatives followed by chlorination and subsequent substitution reactions to introduce the chloromethyl group. Recent advancements in catalytic methods have significantly improved the yield and purity of this compound, aligning with the growing demand for high-quality intermediates in pharmaceutical and agrochemical industries.

In terms of applications, 4-Chloro-2-(chloromethyl)-1-nitrobenzene serves as an intermediate in the synthesis of various bioactive compounds. Its nitro group can be reduced to an amino group, enabling the formation of complex aromatic systems that are crucial in drug discovery. Additionally, the chloromethyl group provides reactivity for further functionalization, making this compound versatile in organic synthesis.

Recent studies have highlighted the potential of 4-Chloro-2-(chloromethyl)-1-nitrobenzene in materials science. Researchers have explored its use as a precursor for advanced polymers and high-performance materials due to its ability to form stable covalent bonds under specific reaction conditions. Furthermore, its role in click chemistry has been increasingly recognized, offering new avenues for constructing complex molecular architectures.

The environmental impact and safety profile of CAS No: 57750-81-9 have also been subjects of recent investigations. Studies indicate that proper handling and disposal protocols are essential to minimize any adverse effects on ecosystems. Regulatory guidelines emphasize the importance of adhering to safety standards during storage and transportation to ensure compliance with international chemical management practices.

In conclusion, 4-Chloro-2-(chloromethyl)-1-nitrobenzene (CAS No: 57750-81-9) stands out as a critical compound in modern chemistry. Its unique properties, coupled with ongoing research advancements, continue to expand its utility across diverse industries. As scientific understanding deepens, this compound is poised to play an even more pivotal role in driving innovation and development in the chemical sciences.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:57750-81-9)4-Chloro-2-(chloromethyl)-1-nitrobenzene
A1041158
Purity:99%
Quantity:1g
Price ($):692.0
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