4-bromopyridin-1-ium chloride

• ChemBase ID: 302041
• Molecular Formular: C5H5BrClN
• Molecular Mass: 194.4569
• Monoisotopic Mass: 192.92938885
• SMILES: c1c[nH+]ccc1Br.[Cl-]
• Canonical SMILES: Brc1cc[nH+]cc1.[Cl-]
• InChI: InChI=1S/C5H4BrN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
• InChIKey: MPZMVUQGXAOJIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromopyridin-1-ium chloride
• IUPAC Traditional name: 4-bromopyridin-1-ium chloride
• Synonyms: 4-Bromopyridine hydrochloride; 4-溴吡啶 盐酸盐

Database IDs

• CAS Number: 19524-06-2
• EC Number: 243-128-4
• MDL Number: MFCD00012828
• Beilstein Number: 3621847

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 1.5118966
• LogD (pH = 7.4): 1.5241668
• Log P: 1.524326
• Molar Refractivity: 32.7826 cm^3
• Polarizability: 12.511714 Å^3
• Polar Surface Area: 14.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 270°C dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 99%