2,6-bis(bromomethyl)pyridine

• ChemBase ID: 149470
• Molecular Formular: C7H7Br2N
• Molecular Mass: 264.94518
• Monoisotopic Mass: 262.89452323
• SMILES: c1cc(nc(c1)CBr)CBr
• Canonical SMILES: BrCc1cccc(n1)CBr
• InChI: InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
• InChIKey: QUTSYCOAZVHGGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(bromomethyl)pyridine
• IUPAC Traditional name: 2,6-bis(bromomethyl)pyridine
• Synonyms: 2,6-Bis(bromomethyl)pyridine; 2,6-bis(bromomethyl)pyridine; 2,6-双(溴甲基)吡啶

Database IDs

• CAS Number: 7703-74-4
• MDL Number: MFCD00191795
• PubChem SID: 162243635; 24865316
• PubChem CID: 603610

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4605315
• LogD (pH = 7.4): 2.4639482
• Log P: 2.4639919
• Molar Refractivity: 48.5575 cm^3
• Polarizability: 18.791164 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-87 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37/39
• 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%; 98%
• Empirical Formula (Hill Notation): C7H7Br2N

DETAILS

Sigma Aldrich - 405426

Packaging
1, 5 g in glass bottle