Cas no 100161-97-5 (4-Pyridazinecarboxylic acid, 3,6-dichloro-, 1,1-dimethylethyl ester)

4-Pyridazinecarboxylic acid, 3,6-dichloro-, 1,1-dimethylethyl ester is a chlorinated pyridazine derivative with a tert-butyl ester functional group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of agrochemicals and pharmaceuticals. Its dichloro-substituted pyridazine core offers reactivity for further functionalization, while the tert-butyl ester group enhances stability and handling properties. The steric hindrance provided by the tert-butyl moiety can also influence regioselectivity in subsequent reactions. This intermediate is valued for its potential in constructing complex heterocyclic systems, making it useful in research and industrial applications requiring precise molecular modifications.
4-Pyridazinecarboxylic acid, 3,6-dichloro-, 1,1-dimethylethyl ester structure
100161-97-5 structure
Product Name:4-Pyridazinecarboxylic acid, 3,6-dichloro-, 1,1-dimethylethyl ester
CAS No:100161-97-5
MF:C9H10Cl2N2O2
MW:249.093900203705
CID:3547400
PubChem ID:13433721
Update Time:2025-05-28

4-Pyridazinecarboxylic acid, 3,6-dichloro-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridazinecarboxylic acid, 3,6-dichloro-, 1,1-dimethylethyl ester
    • tert-butyl 3,6-dichloropyridazine-4-carboxylate
    • 100161-97-5
    • SCHEMBL1179827
    • AUTACEWHHVMQCE-UHFFFAOYSA-N
    • AKOS018720213
    • F53861
    • tert-Butyl3,6-dichloropyridazine-4-carboxylate
    • Inchi： 1S/C9H10Cl2N2O2/c1-9(2,3)15-8(14)5-4-6(10)12-13-7(5)11/h4H,1-3H3
    • InChI Key： AUTACEWHHVMQCE-UHFFFAOYSA-N
    • SMILES： C1(Cl)=NN=C(Cl)C=C1C(OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 248.011933g/mol
  • Monoisotopic Mass: 248.011933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 243
  • 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
  • Molecular Weight: 249.09g/mol
  • XLogP3: 2.6
  • Topological Polar Surface Area: 52.1?2

4-Pyridazinecarboxylic acid, 3,6-dichloro-, 1,1-dimethylethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FB04222-5g
tert-butyl 3,6-dichloropyridazine-4-carboxylate
 100161-97-5 95
5g
 $650 2021-06-25
Alichem
A029196208-5g
tert-Butyl 3,6-dichloropyridazine-4-carboxylate
 100161-97-5 97%
5g
 $578.88 2023-09-04
Alichem
A029196208-10g
tert-Butyl 3,6-dichloropyridazine-4-carboxylate
 100161-97-5 97%
10g
 $812.04 2023-09-04
Alichem
A029196208-25g
tert-Butyl 3,6-dichloropyridazine-4-carboxylate
 100161-97-5 97%
25g
 $1366.80 2023-09-04
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FB04222-10g
tert-butyl 3,6-dichloropyridazine-4-carboxylate
 100161-97-5 95%
10g
 $1400 2023-09-07

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