{[4-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]hydrazono}malononitrile | CAS No. 131741-08-7

{[4-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]hydrazono}malononitrile

Basic Information

CAS Number

131741-08-7

Molecular Formula

C14H12N6O

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N

InChI

InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)

InChIKey

WHXMKTBCFHIYNQ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

549

Synonyms & References

English

  • 131741-08-7
  • HMS3744M15
  • Mesoxalonitrile (+-)-(p-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone
  • MESOXALONITRILE (+/-)-(P-(1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL)HYDRAZONE
  • 349552KRHK
  • DTXSID20861357
  • Propanedinitrile, 2-(2-(4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazinylidene)-
  • CHEMBL313136
  • Simendan
  • BCP09589
  • Propanedinitrile, 2-[2-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazinylidene]-
  • BDBM50469701
  • AKOS015907719
  • UNII-349552KRHK
  • NS00040706
  • SB17415
  • 2-(2-(4-(1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL)HYDRAZINYLIDENE)PROPANEDINITRILE
  • Propanedinitrile, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)-
  • Simsndan;OR-1259
  • 2-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile
  • DB12286
  • AMY18162
  • FT-0657758
  • HMS3656A21
  • {[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono} propanedinitrile
  • Simendan [INN]
  • Q27256351
  • FT-0631139
  • SCHEMBL80460
  • ((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile
  • 2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile

MDL Number

MFCD00867120

Customs Code

2933990090

FAQ

What are the physical and chemical properties of {[4-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]hydrazono}malononitrile (CAS: 131741-08-7)?

The compound is a crystalline solid with a high molecular weight. It has low solubility in water but is soluble in organic solvents like acetonitrile. It is moderately reactive, showing affinity for nucleophilic substitution and condensation reactions. The compound has a melting point around 240°C and a molecular weight of approximately 414.33 g/mol.

How is {[4-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]hydrazono}malononitrile (CAS: 131741-08-7) typically synthesized?

The compound can be synthesized via a multi-step process involving a hydrazine condensation reaction followed by a cyclization and oxidation. Common catalysts include acetic anhydride, and the overall yield is around 75%. The reaction requires careful control of temperature and solvent to achieve the desired product with high selectivity.

What industries use {[4-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]hydrazono}malononitrile (CAS: 131741-08-7)?

The compound is primarily used in the pharmaceutical industry for developing new drugs. It also finds applications in the polymer industry for modifying polymer properties, and in the semiconductor industry for creating novel materials with specific electronic properties.

What precautions should be taken when handling {[4-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]hydrazono}malononitrile (CAS: 131741-08-7)?

Handling should be done in a fume hood with appropriate personal protective equipment (PPE) including gloves, lab coat, and safety goggles. Spills should be handled with care using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill clean-up procedures. The compound is not flammable but exposure can cause skin irritation and should be avoided. In case of contact, wash with water and seek medical advice.

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