benzenediazonium chloride

• ChemBase ID: 126073
• Molecular Formular: C6H5ClN2
• Molecular Mass: 140.5703
• Monoisotopic Mass: 140.01412585
• SMILES: [Cl-].N#[N+]c1ccccc1
• Canonical SMILES: N#[N+]c1ccccc1.[Cl-]
• InChI: InChI=1S/C6H5N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1
• InChIKey: CLRSZXHOSMKUIB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: benzenediazonium chloride
• IUPAC Traditional name: benzenediazonium chloride
• Synonyms: Phenyldiazonium chloride; Benzenediazonium chloride

Database IDs

• CAS Number: 100-34-5
• PubChem SID: 162220414
• PubChem CID: 60992
• Chemspider ID: 54953
• Wikipedia Title: Benzenediazonium_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8097394
• LogD (pH = 7.4): 1.8097394
• Log P: 1.8097394
• Molar Refractivity: 51.7041 cm^3
• Polarizability: 11.641654 Å^3
• Polar Surface Area: 28.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: very good, hydroscopic in water
• Apperance: colorless crystals;
• Melting Point: decomposes
• Boiling Point: decomposes

Safety Information

• Main Hazard: unstable, possibly explosive