5-Ethynyl-3-methyl-1H-indazole

Base Information

• Chemical Name: 5-Ethynyl-3-methyl-1H-indazole
• CAS No.: 1093307-29-9
• Molecular Formula: C10H8N2
• Molecular Weight: 156.18400
• DSSTox Substance ID: DTXSID40700113
• Wikidata: Q82631299
• Mol file: 1093307-29-9.mol

Synonyms:5-ETHYNYL-3-METHYL-1H-INDAZOLE;1093307-29-9;5-ethynyl-3-methyl-2H-indazole;SCHEMBL1519585;DTXSID40700113;UGPLMCAEQYQOEP-UHFFFAOYSA-N;MFCD14584652;AKOS015920022;FS-3242;MB13589;CS-0085353;FT-0752607;A895077;J-517482

Chemical Property of 5-Ethynyl-3-methyl-1H-indazole

Chemical Property:

• Boiling Point: 325.7±22.0 °C(Predicted)
• PKA: 13.71±0.40(Predicted)
• PSA: 28.68000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 1.85260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.068748264
• Heavy Atom Count: 12
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

5-Ethynyl-3-methyl-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C(C=CC2=NN1)C#C

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