2-Chloro-1-methyl-1H-imidazole-5-carbonyl chloride

Base Information

• Chemical Name: 2-Chloro-1-methyl-1H-imidazole-5-carbonyl chloride
• CAS No.: 117283-62-2
• Molecular Formula: C5H4 Cl2 N2 O
• Molecular Weight: 179.00406
• DSSTox Substance ID: DTXSID10555793
• Wikidata: Q82437209
• Mol file: 117283-62-2.mol

Synonyms:117283-62-2;2-CHLORO-3-METHYLIMIDAZOLE-4-CARBONYL CHLORIDE;1H-Imidazole-5-carbonyl chloride, 2-chloro-1-methyl- (9CI);2-Chloro-1-methyl-1H-imidazole-5-carbonyl chloride;DTXSID10555793

Chemical Property of 2-Chloro-1-methyl-1H-imidazole-5-carbonyl chloride

Chemical Property:

• Boiling Point: 308.6±34.0 °C(Predicted)
• PKA: -0.07±0.25(Predicted)
• PSA: 34.89000
• Density: 1.55±0.1 g/cm3(Predicted)
• LogP: 1.45250
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.9700681
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CN=C1Cl)C(=O)Cl