2-(bromomethyl)-6-methylpyridine

• ChemBase ID: 140523
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: Cc1cccc(n1)CBr
• Canonical SMILES: BrCc1cccc(n1)C
• InChI: InChI=1S/C7H8BrN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
• InChIKey: WJFDCFHWFHCLIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-6-methylpyridine
• IUPAC Traditional name: 2-(bromomethyl)-6-methylpyridine
• Synonyms: 2-Bromomethyl-6-methylpyridine; 6-Methyl-2-(bromomethyl)pyridine; 2-(Bromomethyl)-6-methylpyridine; 2-(bromomethyl)-6-methylpyridine; 6-甲基-2-(溴甲基)吡啶; 2-(溴甲基)-6-甲基吡啶

Database IDs

• CAS Number: 68470-59-7
• MDL Number: MFCD04967229
• PubChem SID: 162234767; 24885683
• PubChem CID: 12543733

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6307908
• LogD (pH = 7.4): 1.7395682
• Log P: 1.7411528
• Molar Refractivity: 40.8208 cm^3
• Polarizability: 15.734021 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-42 °C; 38-42°C

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39; 26-36/37/39-60
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H335-H318; H302-H315-H318-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: 97%; 98%
• Empirical Formula (Hill Notation): C7H8BrN

DETAILS

Sigma Aldrich - 682179

Packaging
1, 5 g in glass bottle