CAS 14064-10-9

1,3-Diethyl 2-chloropropanedioate

Description:

1,3-Diethyl 2-chloropropanedioate, with the CAS number 14064-10-9, is an organic compound characterized by its diester functional groups and a chlorinated propanedioate structure. It features two ethyl groups attached to the 1 and 3 positions of the molecule, contributing to its hydrophobic nature and influencing its solubility in organic solvents. The presence of a chlorine atom at the 2-position enhances its reactivity, making it a useful intermediate in organic synthesis. This compound typically appears as a colorless to pale yellow liquid and has a relatively low boiling point, indicative of its volatility. Its chemical properties allow it to participate in various reactions, including nucleophilic substitutions and condensation reactions, making it valuable in the synthesis of more complex organic molecules. Additionally, it may exhibit moderate toxicity, necessitating careful handling and appropriate safety measures during use in laboratory or industrial settings. Overall, 1,3-Diethyl 2-chloropropanedioate serves as an important building block in organic chemistry.

Formula: C₇H₁₁ClO₄

InChI: InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChI key: InChIKey=WLWCQKMQYZFTDR-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(OCC)=O)Cl

Synonyms:

• 1,3-Diethyl 2-chloropropanedioate
• Chloromalonic Acid Diethyl Ester
• Chloropropanedioic Acid Diethyl Ester
• Chloropropanedioic acid ethyl ester
• Diethyl 2-chloromalonate
• Diethyl Chloropropanedioate
• Diethyl monochloromalonate
• Ethyl chloromalonate
• Malonic acid, chloro-, diethyl ester
• NSC 227952
• Propanedioic acid, 2-chloro-, 1,3-diethyl ester
• Propanedioic acid, chloro-, diethyl ester
• Rarechem Al Bi 0643
• α-Chlorodiethyl malonate

Propanedioic acid, 2-chloro-, 1,3-diethyl ester

CAS: 14064-10-9

Formula: C₇H₁₁ClO₄

Purity: 95%

Color and Shape: Liquid

Molecular weight: 194.6128

Ref: IN-DA001CLU

Diethyl 2-Chloromalonate

CAS: 14064-10-9

Formula: C₇H₁₁ClO₄

Purity: >95.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 194.61

Ref: 3B-D3395

Diethyl chloromalonate

CAS: 14064-10-9

Diethyl chloromalonate

Purity: 97%

Color and Shape: Colourless Liquid

Molecular weight: 194.61g/mol

Ref: 54-OR46531

Bosentan Impurity 16

CAS: 14064-10-9

Formula: C₇H₁₁ClO₄

Molecular weight: 194.61

Ref: 4Z-B-1232

Diethyl 2-chloromalonate

CAS: 14064-10-9

Formula: C₇H₁₁ClO₄

Purity: 95%

Color and Shape: Liquid

Molecular weight: 194.61

Ref: 10-F223264

Diethyl Chloromalonate

Controlled Product

CAS: 14064-10-9

Applications A compound used in the models of aquatic toxicity developed (QSAR). Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.
References Kubinyi, H., et al.: J. Med. Chem., 41, 2553 (1998), Hengstler, J., et al.: Toxicology, 220, 232 (2006),

Formula: C₇H₁₁ClO₄

Color and Shape: Neat

Molecular weight: 194.61

Ref: TR-D444060