Cas no 768-11-6 (5-bromo-1,3-benzothiazole)

5-Bromo-1,3-benzothiazole is a heterocyclic aromatic compound featuring a bromine substituent at the 5-position of the benzothiazole ring. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its electron-withdrawing bromine group enhances electrophilic substitution reactions, facilitating cross-coupling and nucleophilic displacement processes. The compound exhibits stability under standard conditions and is compatible with a range of solvents, ensuring versatility in synthetic workflows. Its well-defined reactivity profile and compatibility with palladium-catalyzed transformations make it a preferred building block for constructing complex heterocyclic systems.
5-bromo-1,3-benzothiazole structure
5-bromo-1,3-benzothiazole structure
Product Name:5-bromo-1,3-benzothiazole
CAS No:768-11-6
MF:C7H4BrNS
MW:214.082359313965
MDL:MFCD03001442
CID:39829
PubChem ID:3610155
Update Time:2025-10-16

5-bromo-1,3-benzothiazole Chemical and Physical Properties

Names and Identifiers

    • 5-Bromobenzothiazole
    • 5-bromo-1,3-benzothiazole
    • 5-bromobenzo[d]thiazole
    • 5-bromo-benzothiazole
    • Benzothiazole, 5-bromo-
    • PubChem21859
    • 5-bromanyl-1,3-benzothiazole
    • 5-bromobenzothiazole, AldrichCPR
    • KFDDRUWQFQJGNL-UHFFFAOYSA-N
    • AB12828
    • FCH1334605
    • RP26799
    • BC004680
    • SY025301
    • OR015035
    • J-517159
    • FT-0647650
    • A838838
    • AKOS015834697
    • SCHEMBL858270
    • FS-2969
    • AMY23911
    • DTXSID40394152
    • 5-bromobenzothiazole, 97%
    • 768-11-6
    • Z1269222968
    • CS-W004741
    • EN300-122403
    • MFCD03001442
    • DTXCID30345012
    • DB-008451
    • Benzothiazole, 5-bromo- (7CI,8CI,9CI)
    • MDL： MFCD03001442
    • Inchi： 1S/C7H4BrNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
    • InChI Key： KFDDRUWQFQJGNL-UHFFFAOYSA-N
    • SMILES： BrC1C=CC2=C(C=1)N=CS2

Computed Properties

  • Exact Mass: 212.92500
  • Monoisotopic Mass: 212.925
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 131
  • 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: 2.7
  • Topological Polar Surface Area: 41.1

Experimental Properties

  • Density: 1.748
  • Melting Point: 105-110?°C
  • Boiling Point: 291.5°C at 760 mmHg
  • Flash Point: 130.1°C
  • Refractive Index: 1.718
  • PSA: 41.13000
  • LogP: 3.05880

5-bromo-1,3-benzothiazole Security Information

  • Signal Word：Warning
  • Hazard Statement： H302-H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Storage Condition：Sealed in dry,2-8°C

5-bromo-1,3-benzothiazole 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%

5-bromo-1,3-benzothiazole Pricemore >>

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