Cas no 3507-28-6 (2-chloro-5-methoxy-1,3-benzothiazole)

2-Chloro-5-methoxy-1,3-benzothiazole is a heterocyclic compound featuring a benzothiazole core substituted with a chlorine atom at the 2-position and a methoxy group at the 5-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The chloro group enhances electrophilic substitution potential, while the methoxy group contributes to electronic modulation and solubility. Its well-defined reactivity profile allows for selective transformations, such as cross-coupling or nucleophilic displacement, facilitating the construction of complex molecular architectures. The compound’s stability under standard conditions ensures consistent performance in synthetic applications.
2-chloro-5-methoxy-1,3-benzothiazole structure
3507-28-6 structure
Product Name:2-chloro-5-methoxy-1,3-benzothiazole
CAS No:3507-28-6
MF:C8H6ClNOS
MW:199.657339572906
MDL:MFCD00160069
CID:44225
PubChem ID:7059200
Update Time:2025-10-13

2-chloro-5-methoxy-1,3-benzothiazole Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5-methoxybenzothiazole
    • 2-chloro-5-methoxy-1,3-benzothiazole
    • 2-Chloro-5-methoxy-benzothiazole
    • Benzothiazole, 2-chloro-5-methoxy-
    • 2-Chlor-5-methoxy-benzothiazol
    • 2-chloro-5-methoxybenzo[d]thiazole
    • 2-chloro-5-methoxy-benzthiazole
    • F1954-0004
    • Benzothiazole, 2-chloro-5-methoxy- (6CI,7CI,8CI,9CI)
    • DTXSID30427600
    • A874790
    • AKOS005208176
    • O10739
    • 3507-28-6
    • UUERHMFUYYXLRE-UHFFFAOYSA-N
    • SCHEMBL779852
    • MFCD00160069
    • EN300-235751
    • MDL： MFCD00160069
    • Inchi： 1S/C8H6ClNOS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
    • InChI Key： UUERHMFUYYXLRE-UHFFFAOYSA-N
    • SMILES： ClC1=NC2C=C(C=CC=2S1)OC

Computed Properties

  • Exact Mass: 198.98600
  • Monoisotopic Mass: 198.9858627g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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: 3.3
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • Density: 1.404
  • Boiling Point: 293.5 °C at 760 mmHg
  • Flash Point: 131.3 °C
  • PSA: 50.36000
  • LogP: 2.95830

2-chloro-5-methoxy-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-chloro-5-methoxy-1,3-benzothiazole Pricemore >>

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