Cas no 34576-86-8 (3,4-Dichloro-1-benzothiophene-2-carbonyl chloride)

3,4-Dichloro-1-benzothiophene-2-carbonyl chloride is a high-purity organosulfur compound primarily used as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its reactive carbonyl chloride group enables efficient derivatization, facilitating the formation of amides, esters, and other functionalized derivatives. The dichlorinated benzothiophene core enhances its utility in constructing complex heterocyclic frameworks. This compound exhibits excellent stability under controlled conditions, ensuring reliable performance in multi-step synthetic routes. Its well-defined structure and consistent reactivity make it a preferred choice for researchers requiring precise molecular modifications. Proper handling is essential due to its moisture sensitivity and potential corrosivity.
3,4-Dichloro-1-benzothiophene-2-carbonyl chloride structure
34576-86-8 structure
Product Name:3,4-Dichloro-1-benzothiophene-2-carbonyl chloride
CAS No:34576-86-8
MF:C9H3Cl3OS
MW:265.543518304825
MDL:MFCD01993638
CID:89086
PubChem ID:615313
Update Time:2025-06-08

3,4-Dichloro-1-benzothiophene-2-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3,4-Dichlorobenzo[b]thiophene-2-carbonyl chloride
    • 3,4-dichloro-1-benzothiophene-2-carbonyl chloride
    • 2-Chlorcarbonyl-3,4-dichlorbenzo<b>thiophen
    • 3,4-Dichlor-benzo-<b>-thiophen-2-carbonsaeurechlorid
    • 3,4-dichloro-benzo[b]thiophene-2-carbonyl chloride
    • FT-0683338
    • CS-0269004
    • SCHEMBL8878288
    • AKOS002683743
    • A918909
    • DTXSID00346814
    • FABCCQHAVXFNMK-UHFFFAOYSA-N
    • MFCD01993638
    • VS-05295
    • 34576-86-8
    • 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride #
    • EN300-790409
    • Benzo[b]thiophene-2-carbonyl chloride, 3,4-dichloro-
    • DA-24761
    • ALBB-011350
    • BBL016357
    • STK398250
    • 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride
    • MDL: MFCD01993638
    • Inchi: 1S/C9H3Cl3OS/c10-4-2-1-3-5-6(4)7(11)8(14-5)9(12)13/h1-3H
    • InChI Key: FABCCQHAVXFNMK-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)Cl)SC2C=CC=C(C=21)Cl

Computed Properties

  • Exact Mass: 263.89700
  • Monoisotopic Mass: 263.897019g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 248
  • 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: 5
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Color/Form: crystal
  • Density: 1.625
  • Boiling Point: 375°Cat760mmHg
  • Flash Point: 180.6°C
  • Refractive Index: 1.691
  • PSA: 45.31000
  • LogP: 4.58710
  • Sensitiveness: Moisture Sensitive
  • Solubility: Not determined

3,4-Dichloro-1-benzothiophene-2-carbonyl chloride Security Information

  • Hazardous Material transportation number:UN3261
  • HazardClass:8
  • PackingGroup:III
  • Storage Condition:(BD171897)
  • Packing Group:III
  • Safety Term:8
  • Packing Group:III
  • Hazard Level:8

3,4-Dichloro-1-benzothiophene-2-carbonyl chloride Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3,4-Dichloro-1-benzothiophene-2-carbonyl chloride Pricemore >>

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3,4-Dichloro-1-benzothiophene-2-carbonyl chloride Production Method

3,4-Dichloro-1-benzothiophene-2-carbonyl chloride Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:34576-86-8)3,4-Dichloro-1-benzothiophene-2-carbonyl chloride
Order Number:A918909
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 13:07
Price ($):1074.0

Additional information on 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride

Comprehensive Overview of 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride (CAS No. 34576-86-8)

3,4-Dichloro-1-benzothiophene-2-carbonyl chloride (CAS No. 34576-86-8) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. Its molecular structure, featuring a benzothiophene core with carbonyl chloride and dichloro substituents, makes it a valuable intermediate in synthesizing bioactive molecules. Researchers often explore its reactivity in cross-coupling reactions and heterocyclic synthesis, aligning with current trends in green chemistry and sustainable manufacturing.

The compound’s significance has grown due to rising interest in small-molecule drug discovery and crop protection agents. Recent studies highlight its role in developing kinase inhibitors and antifungal compounds, addressing global challenges like antimicrobial resistance (AMR). Analytical techniques such as HPLC and NMR spectroscopy are critical for characterizing its purity, a common query among chemists optimizing synthetic routes.

From an industrial perspective, 34576-86-8 is often discussed in forums on scale-up synthesis and process optimization. Environmental concerns have also spurred interest in safer alternatives to traditional chlorination methods, with electrochemical synthesis emerging as a hot topic. These trends reflect broader shifts toward eco-friendly chemical production, a priority for regulatory bodies worldwide.

Handling 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride requires adherence to standard laboratory protocols. While not classified as hazardous under general guidelines, its carbonyl chloride group necessitates precautions like anhydrous conditions to avoid hydrolysis. This aligns with frequently searched terms such as "stable storage conditions for acid chlorides" and "handling moisture-sensitive reagents."

In summary, CAS No. 34576-86-8 exemplifies the intersection of medicinal chemistry and industrial innovation. Its applications in high-value chemical synthesis and relevance to biodegradable materials research ensure its continued importance in scientific and commercial spheres.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:34576-86-8)3,4-Dichloro-1-benzothiophene-2-carbonyl chloride
A918909
Purity:99%
Quantity:5g
Price ($):1074.0
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