Cas no 1166827-48-0 (Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate)

Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate is a pyrazine derivative with notable applications in pharmaceutical and agrochemical research. Its structural features, including the chloro and methyl substituents, enhance reactivity and selectivity in synthetic pathways, making it a valuable intermediate for heterocyclic compound synthesis. The ethyl ester group improves solubility in organic solvents, facilitating further functionalization. This compound exhibits stability under standard conditions, ensuring reliable performance in multi-step reactions. Its precise molecular architecture allows for targeted modifications, supporting the development of bioactive molecules. Researchers favor this derivative for its consistent purity and well-documented reactivity profile, which streamline its use in medicinal chemistry and material science applications.

Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate structure

1166827-48-0 structure

Product Name:Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate

CAS No:1166827-48-0

MF:C₉H₁₁ClN₂O₂

MW:214.648841142654

CID:2146791

PubChem ID:57992027

Update Time:2025-06-08

Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

- ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate
- AKOS037650353
- 1166827-48-0
- CS-14685
- ethyl6-chloro-3,5-dimethylpyrazine-2-carboxylate
- SCHEMBL2126222
- DB-308060
- C12653
- CS-M2226
- Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate
- Inchi： 1S/C9H11ClN2O2/c1-4-14-9(13)7-5(2)11-6(3)8(10)12-7/h4H2,1-3H3
- InChI Key： OZBCMKKGZWCMBJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C)N=C(C)C(C(=O)OCC)=N1

Computed Properties

Exact Mass: 214.0509053g/mol
Monoisotopic Mass: 214.0509053g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 14
Rotatable Bond Count: 3
Complexity: 213
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
Topological Polar Surface Area: 52.1
XLogP3: 2.1

Experimental Properties

Density: 1.2±0.1 g/cm3
Boiling Point: 287.7±35.0 °C at 760 mmHg
Flash Point: 127.8±25.9 °C
Vapor Pressure: 0.0±0.6 mmHg at 25°C

Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Ethyl 6-chloro-3,5-dimethylpyrazine-2-carboxylate Pricemore >>

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