Description

2-Chloro-5-chloromethylthiazole (CAS: 105827-91-6) is a highly versatile heterocyclic compound with the molecular formula C₄H₃Cl₂NS. This organochlorine thiazole derivative is a critical intermediate in pharmaceutical synthesis, agrochemical development, and specialty chemical manufacturing. Its reactive chloromethyl and chloro groups enable efficient functionalization, making it invaluable for constructing complex molecular architectures. The compound is supplied as a high-purity (>98%) liquid or solid, rigorously tested via GC/HPLC and NMR to ensure consistency for research and industrial applications. Proper handling under inert conditions is recommended due to its moisture sensitivity. Available in scalable quantities from milligrams to kilograms, this product is ideal for medicinal chemistry, cross-coupling reactions, and ligand design.

Properties

• CAS Number: 105827-91-6
• Complexity: 80.4
• IUPAC Name: 2-chloro-5-(chloromethyl)thiazole
• InChI: InChI=1S/C4H3Cl2NS/c5-1-3-2-7-4(6)8-3/h2H,1H2
• InChI Key: VRMUIVKEHJSADG-UHFFFAOYSA-N
• Exact Mass: 166.9363257
• Molecular Formula: C4H3Cl2NS
• Molecular Weight: 168.04
• SMILES: C1=C(SC(=N1)Cl)CCl
• Topological: 41.1
• Monoisotopic Mass: 166.9363257
• Synonyms: 2-Chloro-5-chloromethylthiazole, 105827-91-6, 2-chloro-5-(chloromethyl)thiazole, 2-chloro-5-chloromethyl-1,3-thiazole, 857BYZ5HZD, THIAZOLE, 2-CHLORO-5-(CHLOROMETHYL)-, DTXSID40376791, EC 429-830-5, 5-chloromethyl-2-chloro-1,3-thiazole, DTXCID90327819, 429-830-5, 600-684-6, 2-chloro-5-(chloromethyl)-1,3-thiazole, 2-chloro-5-chloromethyl-thiazole, 2-chloro-5-chloromethyl thiazole, 2-Chloro-5-thiazolylmethyl chloride, MFCD01073549, UNII-857BYZ5HZD, SCHEMBL335264, 2-chloro-5-thiazolylmethylchloride, 5-(chloromethyl)-2-chlorothiazole, BCP14042, STR02200, GEO-00665, SBB070711, AKOS005256315, AB08016, AC-1163, CS-W002731, FC38617, SB67323, DB-006062, C3295, NS00004597, EN300-62780, 2-Chloro-5-chloromethylthiazole, analytical standard

2-Chloro-5-chloromethylthiazole serves as a key building block in the synthesis of bioactive molecules, particularly fungicides and antiviral agents. Its dual reactive sites facilitate nucleophilic substitutions in drug discovery pipelines. The compound is widely utilized in palladium-catalyzed cross-coupling reactions to construct thiazole-containing scaffolds. Industrial applications include its use as an intermediate for crop protection chemicals targeting fungal pathogens.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P262, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 2 (86.1%)
• Acute Tox. 3 (13.9%)
• Skin Corr. 1B (100%)
• Skin Sens. 1 (100%)
• Eye Dam. 1 (80.6%)
• Aquatic Chronic 2 (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.