4-(bromomethyl)pyridine hydrobromide

• ChemBase ID: 69309
• Molecular Formular: C6H7Br2N
• Molecular Mass: 252.93448
• Monoisotopic Mass: 250.89452323
• SMILES: c1cc(ccn1)CBr.Br
• Canonical SMILES: BrCc1ccncc1.Br
• InChI: InChI=1S/C6H6BrN.BrH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H
• InChIKey: VAJUUDUWDNCECT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)pyridine hydrobromide
• IUPAC Traditional name: 4-(bromomethyl)pyridine hydrobromide
• Synonyms: 4-(Bromomethyl)pyridine hydrobromide; 4-(Bromomethyl)pyridine hydrobromide; 4-(溴甲基)吡啶 氢溴酸盐

Database IDs

• CAS Number: 73870-24-3
• MDL Number: MFCD01863545
• PubChem SID: 24872681; 162035036
• PubChem CID: 12752219

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4164495
• LogD (pH = 7.4): 1.5266521
• Log P: 1.5283108
• Molar Refractivity: 36.7515 cm^3
• Polarizability: 13.993238 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-192 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C6H6BrN · HBr

DETAILS

Sigma Aldrich - 491748

Packaging
5, 25 g in glass bottle