Cas no 53811-44-2 (1-(chloromethyl)-2,4,5-trimethoxybenzene)

1-(Chloromethyl)-2,4,5-trimethoxybenzene is a versatile organic intermediate used in synthetic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive chloromethyl group allows for further functionalization, making it valuable in nucleophilic substitution and cross-coupling reactions. The trimethoxy substitution pattern enhances its stability and solubility in organic solvents, facilitating purification and handling. This compound is particularly useful in the synthesis of complex aromatic systems and as a precursor for bioactive molecules. Its well-defined structure and consistent reactivity make it a reliable choice for research and industrial applications requiring precise molecular modifications. Proper storage under inert conditions is recommended to maintain its stability.
1-(chloromethyl)-2,4,5-trimethoxybenzene structure
53811-44-2 structure
Product Name:1-(chloromethyl)-2,4,5-trimethoxybenzene
CAS No:53811-44-2
MF:C10H13ClO3
MW:216.661422491074
MDL:MFCD11156113
CID:939186
PubChem ID:28602730
Update Time:2025-05-25

1-(chloromethyl)-2,4,5-trimethoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 2,4,5-TRIMETHOXYBENZYL CHLORIDE
    • 1-(Chloromethyl)-2,4,5-trimethoxybenzene
    • benzene, 1-(chloromethyl)-2,4,5-trimethoxy-
    • LogP
    • 53811-44-2
    • SCHEMBL1886751
    • EN300-1982326
    • AKOS000262129
    • DB-292210
    • 1-(chloromethyl)-2,4,5-trimethoxybenzene
    • MDL: MFCD11156113
    • Inchi: 1S/C10H13ClO3/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-5H,6H2,1-3H3
    • InChI Key: HRHHCEKRWHSEJO-UHFFFAOYSA-N
    • SMILES: ClCC1C=C(C(=CC=1OC)OC)OC

Computed Properties

  • Exact Mass: 216.05539
  • Monoisotopic Mass: 216.055
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 165
  • 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: 2.4
  • Topological Polar Surface Area: 27.7A^2

Experimental Properties

  • Density: 1.146
  • Boiling Point: 303.996°C at 760 mmHg
  • Flash Point: 115.435°C
  • Refractive Index: 1.505
  • PSA: 27.69

1-(chloromethyl)-2,4,5-trimethoxybenzene Security Information

  • Hazardous Material transportation number:3261
  • HazardClass:8
  • PackingGroup:III

1-(chloromethyl)-2,4,5-trimethoxybenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1982326-1g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
1g
$414.0 2023-09-16
Enamine
EN300-1982326-5g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
5g
$1199.0 2023-09-16
Enamine
EN300-1982326-10g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
10g
$1778.0 2023-09-16
Enamine
EN300-1982326-0.05g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
0.05g
$348.0 2023-09-16
Enamine
EN300-1982326-0.1g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
0.1g
$364.0 2023-09-16
Enamine
EN300-1982326-0.25g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
0.25g
$381.0 2023-09-16
Enamine
EN300-1982326-0.5g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
0.5g
$397.0 2023-09-16
Enamine
EN300-1982326-1.0g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
1g
$785.0 2023-05-31
Enamine
EN300-1982326-2.5g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
2.5g
$810.0 2023-09-16
Enamine
EN300-1982326-5.0g
1-(chloromethyl)-2,4,5-trimethoxybenzene
53811-44-2
5g
$2277.0 2023-05-31

Additional information on 1-(chloromethyl)-2,4,5-trimethoxybenzene

Comprehensive Overview of 1-(Chloromethyl)-2,4,5-trimethoxybenzene (CAS No. 53811-44-2)

1-(Chloromethyl)-2,4,5-trimethoxybenzene (CAS No. 53811-44-2) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and fine chemical applications. Its unique structural features, including the chloromethyl group and three methoxy substituents, make it a versatile building block for synthesizing complex molecules. Researchers and industries value this compound for its reactivity and adaptability in multistep organic synthesis, particularly in constructing heterocyclic frameworks.

In recent years, the demand for high-purity 1-(chloromethyl)-2,4,5-trimethoxybenzene has surged due to its role in developing bioactive compounds. A trending topic in scientific forums revolves around its application in green chemistry protocols, where solvent-free reactions and catalytic methods are explored to minimize environmental impact. This aligns with the global push toward sustainable chemical manufacturing, a frequently searched term in academic and industrial databases.

The compound’s CAS No. 53811-44-2 is often cross-referenced in patents related to drug discovery and material science. For instance, its derivatives have been investigated for potential use in photovoltaic materials, a hot topic given the rise of renewable energy technologies. Analytical techniques like HPLC and NMR are critical for quality control, as purity directly impacts downstream applications—a concern frequently raised in QA/QC discussions among chemists.

Another area of interest is the compound’s stability under varying storage conditions. Searches for "handling aromatic chloromethyl derivatives" have increased, reflecting user concerns about optimal temperature and humidity ranges. Best practices recommend inert atmospheres and moisture-resistant packaging to preserve its reactivity, a detail often highlighted in technical datasheets.

From a synthetic perspective, 1-(chloromethyl)-2,4,5-trimethoxybenzene serves as a precursor for functionalized aromatics. Its electrophilic character allows nucleophilic substitutions, enabling modifications tailored to target molecules. This flexibility is crucial for custom synthesis projects, a growing niche in contract research organizations (CROs).

In summary, CAS No. 53811-44-2 represents a critical intersection of innovation and practicality in modern chemistry. Its applications span life sciences, energy research, and industrial catalysis, making it a compound of enduring relevance. As industries prioritize efficiency and sustainability, this molecule’s role is poised to expand further.

Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.