imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride

• ChemBase ID: 101192
• Molecular Formular: C8H6Cl2N2O
• Molecular Mass: 217.05204
• Monoisotopic Mass: 215.98571818
• SMILES: c1(cn2c(ncc2)cc1)C(=O)Cl.Cl
• Canonical SMILES: ClC(=O)c1ccc2n(c1)ccn2.Cl
• InChI: InChI=1S/C8H5ClN2O.ClH/c9-8(12)6-1-2-7-10-3-4-11(7)5-6;/h1-5H;1H
• InChIKey: LHLAJCRPSZDOFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride
• Synonyms: imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride; Imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride

Database IDs

• CAS Number: 859833-15-1
• MDL Number: MFCD07772809
• PubChem SID: 162088518
• PubChem CID: 18525720

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.41446975
• LogD (pH = 7.4): 0.9336877
• Log P: 0.950462
• Molar Refractivity: 47.0511 cm^3
• Polarizability: 17.08063 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 248-250°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501

Product Information

• Purity: 95%; Tech