4-bromo-1H-pyrazole-3-carbonitrile

Base Information

• Chemical Name: 4-bromo-1H-pyrazole-3-carbonitrile
• CAS No.: 288246-16-2
• Molecular Formula: C4H2BrN3
• Molecular Weight: 171.984
• Hs Code.: 2933199090
• European Community (EC) Number: 640-348-6
• DSSTox Substance ID: DTXSID00951467
• Wikidata: Q72511712
• Mol file: 288246-16-2.mol

Synonyms:4-bromo-1H-pyrazole-3-carbonitrile;288246-16-2;4-bromo-1H-pyrazole-5-carbonitrile;4-Bromo-2H-pyrazole-3-carbonitrile;4-Bromopyrazole-3-carbonitrile;916791-70-3;1H-Pyrazole-3-carbonitrile, 4-bromo-;C4H2BrN3;4-Bromo-3-cyano-1H-pyrazole;MFCD00105683;1H-Pyrazole-5-carbonitrile,4-bromo-;Maybridge1_006470;4-Bromo-3-Cyanopyrazole;SCHEMBL581659;HMS559O02;AMY6477;AMY9202;DTXSID00951467;ZXVFKQRZKKGVNJ-UHFFFAOYSA-N;BCP23452;1H-Pyrazole-3-carbonitrile,4-bromo;GEO-00562;MFCD06245535;4-bromo-1 h-pyrazole-3-carbonitrile;AKOS005145574;AKOS006228371;AKOS025394604;AC-8260;CS-W019842;FS-1748;PS-4370;BP-10302;SY006371;4-Bromo-1H-pyrazole-3-carbonitrile, 97%;A5432;FT-0617706;EN300-1697946;J-017283;J-514548;Z1201623426

Chemical Property of 4-bromo-1H-pyrazole-3-carbonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 5.18E-07mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.639
• Boiling Point: 412.4 °C at 760 mmHg
• PKA: 8.23±0.50(Predicted)
• Flash Point: 203.2 °C
• PSA: 52.47000
• Density: 2.01 g/cm³
• LogP: 1.04388
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 170.94321
• Heavy Atom Count: 8
• Complexity: 127

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-1H-pyrazole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=C1Br)C#N