5-bromo-1-methyl-1H-pyrazole

Base Information

• Chemical Name: 5-bromo-1-methyl-1H-pyrazole
• CAS No.: 361476-01-9
• Molecular Formula: C4H5BrN2
• Molecular Weight: 160.9999
• Hs Code.: 2933199090
• European Community (EC) Number: 819-360-2
• DSSTox Substance ID: DTXSID60591641
• Nikkaji Number: J1.564.014F
• Wikidata: Q82485462
• Mol file: 361476-01-9.mol

Synonyms:5-bromo-1-methyl-1H-pyrazole;361476-01-9;5-bromo-1-methylpyrazole;MFCD11656572;1H-Pyrazole,5-bromo-1-methyl-(9CI);SCHEMBL12528194;AMY1116;DTXSID60591641;TZARUEALSRVVHC-UHFFFAOYSA-N;BBL104200;STL558031;AKOS015835978;CS-W018563;PB42638;SY043010;TS-02137;5-Bromo-1-methyl-1H-pyrazole, AldrichCPR;DB-069328;EN300-108617;4-(Tert-Butyldimethylsilanyloxy)but-2-ylnoicacid;A874421;J-516816

Chemical Property of 5-bromo-1-methyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.543mmHg at 25°C
• Refractive Index: 1.606
• Boiling Point: 197.064 °C at 760 mmHg
• PKA: 1.01±0.10(Predicted)
• Flash Point: 72.982 °C
• PSA: 17.82000
• Density: 1.693 g/cm³
• LogP: 1.18260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 159.96361
• Heavy Atom Count: 7
• Complexity: 66.7

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-1-methyl-1h-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=N1)Br