Cas no 898747-91-6 (2,4,7-trichloro-1,3-benzothiazole)

2,4,7-Trichloro-1,3-benzothiazole is a halogenated heterocyclic compound with applications in organic synthesis and agrochemical research. Its structure, featuring a benzothiazole core substituted with three chlorine atoms, confers reactivity useful in cross-coupling reactions and as a building block for more complex molecules. The electron-withdrawing effects of the chlorine substituents enhance its electrophilic character, making it a valuable intermediate in the synthesis of fungicides and other bioactive compounds. Its stability under standard conditions and compatibility with various reaction conditions further contribute to its utility in industrial and laboratory settings. The compound is typically handled with standard safety precautions due to its halogenated nature.
2,4,7-trichloro-1,3-benzothiazole structure
898747-91-6 structure
Product Name:2,4,7-trichloro-1,3-benzothiazole
CAS No:898747-91-6
MF:C7H2Cl3NS
MW:238.521477222443
MDL:MFCD04971824
CID:855006
PubChem ID:2049873
Update Time:2025-06-08

2,4,7-trichloro-1,3-benzothiazole Chemical and Physical Properties

Names and Identifiers

    • 2,4,7-Trichlorobenzo[d]thiazole
    • 2,4,7-Trichloro-1,3-benzothiazole
    • 2,4,7-Trichlorobenzothiazole
    • F1910-0021
    • DTXSID30365957
    • AC-27302
    • AKOS015957080
    • A843365
    • EN300-237781
    • FT-0688544
    • 898747-91-6
    • DB-027583
    • 2,4,7-trichloro-1,3-benzothiazole
    • MDL： MFCD04971824
    • Inchi： 1S/C7H2Cl3NS/c8-3-1-2-4(9)6-5(3)11-7(10)12-6/h1-2H
    • InChI Key： SRXNPRKIHOXFEB-UHFFFAOYSA-N
    • SMILES： ClC1=CC=C(C2=C1SC(=N2)Cl)Cl

Computed Properties

  • Exact Mass: 236.89700
  • Monoisotopic Mass: 236.897
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 180
  • 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: 41.1A^2
  • XLogP3: 4.6

Experimental Properties

  • PSA: 41.13000
  • LogP: 4.25650

2,4,7-trichloro-1,3-benzothiazole Customs Data

  • HS CODE：2934200090
  • Customs Data：

    China Customs Code:

    2934200090

    Overview:

    2934200090. Other compounds containing a benzothiazole ring. 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:

    2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,4,7-trichloro-1,3-benzothiazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
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 898747-91-6 95%
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 898747-91-6 95%
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TRC
B589053-10mg
2,4,7-Trichloro-1,3-benzothiazole
 898747-91-6
10mg
 $ 50.00 2022-06-07
TRC
B589053-50mg
2,4,7-Trichloro-1,3-benzothiazole
 898747-91-6
50mg
 $ 135.00 2022-06-07
TRC
B589053-100mg
2,4,7-Trichloro-1,3-benzothiazole
 898747-91-6
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 $ 210.00 2022-06-07
Alichem
A059003156-1g
2,4,7-Trichlorobenzo[d]thiazole
 898747-91-6 95%
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 $1390.50 2023-08-31
Chemenu
CM155343-1g
2,4,7-Trichloro-1,3-benzothiazole
 898747-91-6 95%
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Chemenu
CM155343-1g
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 898747-91-6 95%
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