Description
2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine (CAS No. 160199-05-3) is a high-purity heterocyclic compound with the molecular formula C10H4Cl2N2S. This chlorinated benzo-thieno-pyrimidine derivative is a valuable building block in organic synthesis and pharmaceutical research. The compound features a fused tricyclic structure with two chlorine substituents at the 2- and 4-positions, offering unique reactivity for further functionalization. Our product is synthesized under strict quality control measures and is characterized by HPLC, NMR, and mass spectrometry to ensure ≥95% purity. Supplied as a crystalline solid with excellent shelf stability when stored at 2-8°C in inert conditions. Ideal for researchers developing novel bioactive molecules, particularly in medicinal chemistry applications targeting kinase inhibition or other therapeutic mechanisms.
Properties
- CAS Number: 160199-05-3
- Complexity: 254
- IUPAC Name: 2,4-dichlorobenzothiopheno[3,2-d]pyrimidine
- InChI: InChI=1S/C10H4Cl2N2S/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H
- InChI Key: BSWVSKQCYPFXJF-UHFFFAOYSA-N
- Exact Mass: 253.9472247
- Molecular Formula: C10H4Cl2N2S
- Molecular Weight: 255.12
- SMILES: C1=CC=C2C(=C1)C3=C(S2)C(=NC(=N3)Cl)Cl
- Topological: 54
- Monoisotopic Mass: 253.9472247
- Synonyms: 160199-05-3, 2,4-dichlorobenzo[4,5]thieno[3,2-d]pyrimidine, 2,4-Dichlorobenzo(4,5)thieno(3,2-d)pyrimidine, 812-901-3, 2,4-DICHLORO-BENZO[4,5]THIENO[3,2-D]PYRIMIDINE, [1]Benzothieno[3,2-d]pyrimidine, 2,4-dichloro-, MFCD13190347, 2,4-dichloro-[1]benzothiolo[3,2-d]pyrimidine, C10H4Cl2N2S, SCHEMBL2534139, BSWVSKQCYPFXJF-UHFFFAOYSA-N, AKOS037648772, AB70245, s12189, BS-15556, SY261308, DB-111723, CS-0112436
Application
This compound serves as a key intermediate in the synthesis of pharmacologically active molecules, particularly in kinase inhibitor development. Researchers utilize its reactive chlorine sites for nucleophilic substitution reactions to create diverse pyrimidine derivatives. The fused thienopyrimidine core structure makes it valuable for studying structure-activity relationships in drug discovery programs. It has shown potential in the development of anticancer and anti-inflammatory agents due to its ability to modulate various biological targets.
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. 2 (100%)
- STOT SE 3 (100%)
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