4,5-Dichloro-1-prop-2-ynylimidazole

Base Information

• Chemical Name: 4,5-Dichloro-1-prop-2-ynylimidazole
• CAS No.: 175203-80-2
• Molecular Formula: C6H4Cl2N2
• Molecular Weight: 175.02
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40407857
• Wikidata: Q82213203
• Mol file: 175203-80-2.mol

Synonyms:175203-80-2;4,5-dichloro-1-prop-2-ynylimidazole;3-(4,5-DICHLOROIMIDAZOL-1-YL)PROPYNE;4,5-dichloro-1-(prop-2-yn-1-yl)-1H-imidazole;1H-Imidazole, 4,5-dichloro-1-(2-propyn-1-yl)-;SCHEMBL6788435;DTXSID40407857;XHUCTCULSMXPRZ-UHFFFAOYSA-N;MFCD00170428;AKOS005255146;MS-6367;FT-0762402

Chemical Property of 4,5-Dichloro-1-prop-2-ynylimidazole

Chemical Property:

• Boiling Point: 314.7±32.0 °C(Predicted)
• PKA: 1.91±0.61(Predicted)
• PSA: 17.82000
• Density: 1.30±0.1 g/cm3(Predicted)
• LogP: 1.82310
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.9751535
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

99%min ^*data from raw suppliers

4,5-dichloro-1-prop-2-ynylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN1C=NC(=C1Cl)Cl