2-(4-Chlorophenyl)-3-ethyl-5-oxo-2,5-dihydropyridazine-4-carboxylic Acid - CAS 129025-54-3
Catalog: |
BB006964 |
Product Name: |
2-(4-Chlorophenyl)-3-ethyl-5-oxo-2,5-dihydropyridazine-4-carboxylic Acid |
CAS: |
129025-54-3 |
Synonyms: |
2-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyridazinecarboxylic acid; 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylic acid |
IUPAC Name: | 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylic acid |
Description: | 2-(4-Chlorophenyl)-3-ethyl-5-oxo-2,5-dihydropyridazine-4-carboxylic Acid (CAS# 129025-54-3) is a chemical hybridizing agent (CHA) used in wheat breeding. It can induce the physiological male sterility in wheat. |
Molecular Weight: | 278.69 |
Molecular Formula: | C13H11ClN2O3 |
Canonical SMILES: | CCC1=C(C(=O)C=NN1C2=CC=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C13H11ClN2O3/c1-2-10-12(13(18)19)11(17)7-15-16(10)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19) |
InChI Key: | PIZCXVUFSNPNON-UHFFFAOYSA-N |
Boiling Point: | 443.4 ℃ at 760 mmHg |
Melting Point: | Melts/decomposes at 269 °C |
Density: | 1.38 g/cm3 |
Solubility: | In organic solvents (% w/v): methanol = 1.6%; acetone = <0.05%; dichloromethane = <0.04%; toluene = <0.04%; ethyl acetate = <0.05%; n-hexane = <0.06% |
Appearance: | Solid fawn-colored powder |
LogP: | 2.14650 |
pH: | 6.25; 1% aqueous slurry at 25.6 °C |
Vapor Pressure: | less than 1.0X10-7 mm Hg at 25 °C |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021202789-A1 | Compositions and methods for controlling fungal diseases in plants | 20200402 |
WO-2021176007-A1 | Fungicidal compositions | 20200305 |
WO-2021176057-A1 | Fungicidal compositions | 20200305 |
WO-2021158455-A1 | Compositions having pesticidal utility and processes related thereto | 20200204 |
WO-2021152093-A1 | Injection systems, injection tools and methods for same | 20200129 |
PMID | Publication Date | Title | Journal |
21720120 | 20110101 | [Analytical method of clofencet in animal fishery products by LC/MS] | Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan |
11695595 | 20011101 | Sorption of weak organic acids in soils: clofencet, 2,4-D and salicylic acid | Chemosphere |
Complexity: | 451 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.0458199 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.0458199 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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