pyridine hydrobromide

• ChemBase ID: 76877
• Molecular Formular: C5H6BrN
• Molecular Mass: 160.01184
• Monoisotopic Mass: 158.9683612
• SMILES: n1ccccc1.Br
• Canonical SMILES: c1cccnc1.Br
• InChI: InChI=1S/C5H5N.BrH/c1-2-4-6-5-3-1;/h1-5H;1H
• InChIKey: BBFCIBZLAVOLCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine hydrobromide
• IUPAC Traditional name: pyridine hydrobromide
• Synonyms: Pyridine hydrobromide; Pyridinium bromide; Pyridine hydrobromide; 氢溴化吡啶; 吡啶氢溴酸盐; 吡啶 氢溴酸盐

Database IDs

• CAS Number: 18820-82-1
• EC Number: 242-600-7
• MDL Number: MFCD00012801
• Beilstein Number: 3615336
• PubChem SID: 162041779; 24858596
• PubChem CID: 87810

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 °C (dec.)(lit.); 210-218 °C; 216-220°C

Safety Information

• Storage Warning: Harmful/Very Hygroscopic/ Store under Nitrogen; Hygroscopic
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 95+%; 98%
• Grade: purum
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C5H5N · HBr

DETAILS

Sigma Aldrich - 307475

Packaging
250 g in glass bottle