Description
1,3-Benzothiazole-7-carbaldehyde (CAS No. 144876-37-9) is a high-purity heterocyclic organic compound with the molecular formula C8H5NOS. This benzothiazole derivative features a reactive carbaldehyde functional group at the 7-position, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. The compound is characterized by its distinct aromatic structure, which is integral to its role in the development of dyes, fluorescent probes, and biologically active molecules. Available in various quantities, our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a crystalline solid with documented stability under recommended storage conditions (2-8°C, inert atmosphere). Ideal for researchers in medicinal chemistry and materials science, this compound is packaged with detailed analytical data, including 1H/13C NMR and LC-MS spectra.
Properties
- CAS Number: 144876-37-9
- Complexity: 162
- IUPAC Name: 1,3-benzothiazole-7-carbaldehyde
- InChI: InChI=1S/C8H5NOS/c10-4-6-2-1-3-7-8(6)11-5-9-7/h1-5H
- InChI Key: GRXZDXCWBKCRMW-UHFFFAOYSA-N
- Exact Mass: 163.00918496
- Molecular Formula: C8H5NOS
- Molecular Weight: 163.20
- SMILES: C1=CC(=C2C(=C1)N=CS2)C=O
- Topological: 58.2
- Monoisotopic Mass: 163.00918496
- Synonyms: 144876-37-9, 1,3-BENZOTHIAZOLE-7-CARBALDEHYDE, DTXSID10668498, DTXCID50619247, 103-681-3, Benzo[d]thiazole-7-carbaldehyde, 7-Benzothiazolecarboxaldehyde, 7-Benzothiazolecarboxaldehyde(9CI), MFCD18822744, SCHEMBL3147426, SCHEMBL5486695, GRXZDXCWBKCRMW-UHFFFAOYSA-N, UFA87637, AKOS016006370, CS-W019126, DS-4202, SY105916, DB-350722, F17562
Application
1,3-Benzothiazole-7-carbaldehyde serves as a key building block in the synthesis of benzothiazole-based fluorophores for bioimaging applications. Its aldehyde group enables condensation reactions to form Schiff bases, which are explored as ligands in coordination chemistry and catalysts. The compound is also utilized in the development of antimicrobial and antitumor agents due to the bioactive benzothiazole core. Researchers employ it in the design of optoelectronic materials for organic light-emitting diodes (OLEDs).
Safety and Hazards
GHS Hazard Statements
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
- Eye Irrit. 2A (100%)
- STOT SE 3 (100%)
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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.


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