4-bromopyridine hydrochloride

• ChemBase ID: 64285
• Molecular Formular: C5H5BrClN
• Molecular Mass: 194.4569
• Monoisotopic Mass: 192.92938885
• SMILES: n1ccc(Br)cc1.Cl
• Canonical SMILES: Brc1ccncc1.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-bromopyridine hydrochloride
• IUPAC Traditional name: 4-bromopyridine hydrochloride
• Synonyms: 4-Bromopyridinium Chloride; 4-Bromopyridine hydrochloride; 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: 3680350
• PubChem SID: 24892044; 162030024; 24851020
• PubChem CID: 88100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5118966
• LogD (pH = 7.4): 1.5241668
• Log P: 1.524326
• Molar Refractivity: 31.5239 cm^3
• Polarizability: 12.282274 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: Light Yellow Solid
• Melting Point: 228-230°C; 270 °C (dec.)(lit.); 270(dec.)°C
• Hydrophobicity(logP): 1.592

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Harmful/Irritant/Light Sensitive/Hygroscopic/Store under Argon; IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (AT); 95%; 97%; 98%; 99%
• Grade: purum
• Salt Data: HCl
• Empirical Formula (Hill Notation): C5H4BrN · HCl

DETAILS

MP Biomedicals - 05215763

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B80429

Packaging
1, 5 g in glass bottle