Cas no 1899-36-1 (Propanoic acid,2,3-dichloro-2-methyl-, sodium salt (1:1))

Propanoic acid, 2,3-dichloro-2-methyl-, sodium salt (1:1) is a sodium salt derivative of a halogenated carboxylic acid, featuring dichloro and methyl substituents on the alpha and beta carbons. This compound is valued for its reactivity as an intermediate in organic synthesis, particularly in the preparation of agrochemicals and pharmaceuticals. The sodium salt form enhances solubility in polar solvents, facilitating its use in aqueous-phase reactions. Its structural features, including the electron-withdrawing chlorine atoms, contribute to its utility in nucleophilic substitution and condensation reactions. The product is typically handled under controlled conditions due to its potential reactivity and should be stored in a dry, cool environment to maintain stability.
Propanoic acid,2,3-dichloro-2-methyl-, sodium salt (1:1) structure
1899-36-1 structure
Product Name:Propanoic acid,2,3-dichloro-2-methyl-, sodium salt (1:1)
CAS No:1899-36-1
MF:C4H5Cl2NaO2
MW:178.977070569992
CID:150174
PubChem ID:23682188
Update Time:2025-05-28

Propanoic acid,2,3-dichloro-2-methyl-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2,3-dichloro-2-methyl-, sodium salt (1:1)
    • alpha,beta-Dichloroisobutyric Acid
    • ALPHA,BETA-DICHLOROISOBUTYRIC ACID SODIUM SALT
    • 2,3-Dichlorisomaselna sodny [Czech]
    • DCIB
    • EINECS 217-593-9
    • FW 450
    • Gametocide
    • Mendok
    • sodium 2,3-dichloro-2-methylpropanoate
    • Sodium 2,3-dichloroisobutyrate
    • Ai3-25273
    • GametocideMendok
    • 2,3-dichlorisomaselnasodny
    • Sodium α,β-dichloroisobutyrate
    • SCHEMBL1879743
    • sodium;2,3-dichloro-2-methylpropanoate
    • DTXSID80940516
    • AKOS006228271
    • Sodium 2,3-dichloro-2-methylpropionate
    • NS00044948
    • Propionic acid, 2,3-dichloro-2-methyl-, sodium salt
    • FT-0693937
    • Propanoic acid, 2,3-dichloro-2-methyl-, sodium salt
    • 2,3-Dichloro-2-methylpropionic acid, sodium salt
    • Sodium alpha,beta-dichloroisobutyrate
    • 2,3 Dichloro-2-methylpropanoic acid sodium
    • 2,3-Dichlorisomaselna sodny
    • 1899-36-1
    • fw450
    • sodium2,3-dichloroisobutyrate
    • Inchi: 1S/C4H6Cl2O2.Na/c1-4(6,2-5)3(7)8;/h2H2,1H3,(H,7,8);/q;+1/p-1
    • InChI Key: WESJNFANGQJVKA-UHFFFAOYSA-M
    • SMILES: ClC(C(=O)[O-])(C)CCl.[Na+]

Computed Properties

  • Exact Mass: 177.95655
  • Monoisotopic Mass: 177.9564291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 109
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.1?2

Experimental Properties

  • PSA: 40.13

Propanoic acid,2,3-dichloro-2-methyl-, sodium salt (1:1) Security Information

  • Safety Instruction: 22-24/25
  • RTECS:UF0950000

Propanoic acid,2,3-dichloro-2-methyl-, sodium salt (1:1) Pricemore >>

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