Cas no 465513-98-8 (4-(1,2,3-thiadiazol-4-yl)benzoyl chloride)

4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride is a versatile heterocyclic building block used in organic synthesis and pharmaceutical research. Its structure combines a benzoyl chloride moiety with a 1,2,3-thiadiazole ring, enabling selective reactivity for amide or ester formation while retaining the unique electronic properties of the thiadiazole group. This compound is particularly valuable in the development of agrochemicals, pharmaceuticals, and functional materials due to its ability to introduce both aromatic and heterocyclic components into target molecules. The thiadiazole ring enhances biological activity, making it useful in designing bioactive compounds. Its reactivity with nucleophiles allows for efficient derivatization, offering synthetic flexibility in complex molecular architectures.
4-(1,2,3-thiadiazol-4-yl)benzoyl chloride structure
465513-98-8 structure
Product Name:4-(1,2,3-thiadiazol-4-yl)benzoyl chloride
CAS No:465513-98-8
MF:C9H5ClN2OS
MW:224.66679930687
MDL:MFCD02681927
CID:94009
PubChem ID:2776452
Update Time:2025-08-04

4-(1,2,3-thiadiazol-4-yl)benzoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-(1,2,3-thiadiazol-4-yl)benzoyl
    • 4-(1,2,3-THIADIAZOL-4-YL)BENZOYL CHLORIDE
    • 4-(thiadiazol-4-yl)benzoyl chloride
    • 465513-98-8
    • 4-(1,2,3-thiadiazol-4-yl)benzoyl chloride, AldrichCPR
    • Benzoylchloride, 4-(1,2,3-thiadiazol-4-yl)-
    • SZZWMNJQWMQKRY-UHFFFAOYSA-N
    • DTXSID40380090
    • SCHEMBL1021624
    • 4-(1,2,3-THIADIAZOL-4-YL)BENZOYLCHLORIDE
    • FT-0616444
    • EN300-319405
    • J-513192
    • MFCD02681927
    • 4-(1,2,3-thiadiazol-4-yl)benzoyl chloride
    • MDL: MFCD02681927
    • Inchi: 1S/C9H5ClN2OS/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H
    • InChI Key: SZZWMNJQWMQKRY-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(C2=CSN=N2)=CC=1)=O

Computed Properties

  • Exact Mass: 223.98100
  • Monoisotopic Mass: 223.981
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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: nothing
  • Topological Polar Surface Area: 71.1A^2

Experimental Properties

  • Density: 1.43
  • Melting Point: 168 °C
  • Boiling Point: 368.8°C at 760 mmHg
  • Flash Point: 176.9°C
  • Refractive Index: 1.626
  • PSA: 71.09000
  • LogP: 2.58410

4-(1,2,3-thiadiazol-4-yl)benzoyl chloride Security Information

4-(1,2,3-thiadiazol-4-yl)benzoyl 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%

4-(1,2,3-thiadiazol-4-yl)benzoyl chloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
OR23260-1g
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride
465513-98-8
1g
£350.00 2024-07-28
abcr
AB149186-1 g
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride, 95%; .
465513-98-8 95%
1 g
€348.70 2023-07-20
abcr
AB149186-5 g
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride, 95%; .
465513-98-8 95%
5 g
€1,294.80 2023-07-20
SHENG KE LU SI SHENG WU JI SHU
sc-261232-250mg
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride,
465513-98-8
250mg
¥880.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-261232A-1g
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride,
465513-98-8
1g
¥2369.00 2023-09-05
abcr
AB149186-1g
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride, 95%; .
465513-98-8 95%
1g
€348.70 2025-04-18
abcr
AB149186-5g
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride, 95%; .
465513-98-8 95%
5g
€1294.80 2025-04-18
Enamine
EN300-319405-0.05g
4-(1,2,3-thiadiazol-4-yl)benzoyl chloride
465513-98-8 95.0%
0.05g
$612.0 2025-03-19
Enamine
EN300-319405-0.1g
4-(1,2,3-thiadiazol-4-yl)benzoyl chloride
465513-98-8 95.0%
0.1g
$640.0 2025-03-19
Enamine
EN300-319405-0.25g
4-(1,2,3-thiadiazol-4-yl)benzoyl chloride
465513-98-8 95.0%
0.25g
$670.0 2025-03-19

Additional information on 4-(1,2,3-thiadiazol-4-yl)benzoyl chloride

4-(1,2,3-Thiadiazol-4-yl)benzoyl Chloride: A Comprehensive Overview

4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride, also known by its CAS number 465513-98-8, is a significant compound in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various industries. The molecule consists of a benzoyl group attached to a thiadiazole ring via a chlorine atom, making it a versatile building block for further chemical modifications.

The thiadiazole ring, a five-membered heterocycle containing sulfur and nitrogen atoms, is a key feature of this compound. Its presence imparts distinctive electronic and steric properties to the molecule. Recent studies have highlighted the importance of thiadiazole-containing compounds in drug discovery and material science. For instance, researchers have explored the use of thiadiazole derivatives in developing novel antibiotics and anticancer agents.

One of the most notable aspects of 4-(1,2,3-thiadiazol-4-yl)benzoyl chloride is its reactivity. The benzoyl chloride group is highly electrophilic, making it an excellent candidate for nucleophilic substitutions. This property has been exploited in the synthesis of various bioactive molecules. For example, scientists have successfully used this compound as an intermediate in the preparation of peptide bonds and other complex structures.

The synthesis of 4-(1,2,3-thiadiazol-4-yl)benzoyl chloride involves a multi-step process that typically begins with the preparation of the thiadiazole ring. Recent advancements in catalytic methods have made this synthesis more efficient and environmentally friendly. Researchers have reported using transition metal catalysts to facilitate the formation of the thiadiazole ring under mild conditions.

In terms of applications, thiadiazole-containing compounds have found utility in diverse fields such as agrochemistry and polymer science. For instance, certain thiadiazole derivatives have been used as fungicides due to their ability to inhibit fungal growth. Additionally, these compounds have been incorporated into polymer matrices to enhance their thermal stability and mechanical properties.

The study of 4-(1,2,3-thiadiazol-4-yl)benzoyl chloride has also contributed to our understanding of heterocyclic chemistry. The thiadiazole ring's reactivity and stability make it a valuable component in various chemical transformations. Recent research has focused on exploring the stereochemical outcomes of reactions involving this compound.

In conclusion, 4-(1,2,3-thiadiazol-4-yl)benzoyl chloride is a versatile compound with significant potential in organic synthesis and materials science. Its unique structure and reactivity make it an invaluable tool for chemists working on innovative solutions across multiple disciplines.

Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen