2-bromo-6-methylpyridine

• ChemBase ID: 13646
• Molecular Formular: C6H6BrN
• Molecular Mass: 172.02254
• Monoisotopic Mass: 170.9683612
• SMILES: n1c(C)cccc1Br
• Canonical SMILES: Cc1cccc(n1)Br
• InChI: InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
• InChIKey: SOHDPICLICFSOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methylpyridine
• IUPAC Traditional name: 2-bromo-6-methylpyridine
• Synonyms: 2-Bromo-6-methylpyridine; 6-Bromo-2-picoline; 2-Bromo-6-methylpyridine 98%; 2-Bromo-6-methylpyridine; 2-Bromo-6-methylpyridine; 2-溴-6-甲基吡啶

Database IDs

• CAS Number: 5315-25-3; 109-04-6
• EC Number: 226-173-4
• MDL Number: MFCD00040743
• Beilstein Number: 107322
• PubChem SID: 160976953; 24866838
• PubChem CID: 79205

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8609958
• LogD (pH = 7.4): 1.8612154
• Log P: 1.8612182
• Molar Refractivity: 36.9576 cm^3
• Polarizability: 14.068591 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-103 °C/20 mmHg(lit.); 102-103°C/20mm; 102-103°C/20mm
• Flash Point: 206.6 °F; 97 °C; 97°C; 97°C(206°F)
• Density: 1.512; 1.512 g/mL at 25 °C(lit.)
• Refractive Index: 1.5620; 1.5625; n20/D 1.562(lit.)
• Hydrophobicity(logP): 2.091

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H6BrN

DETAILS

Sigma Aldrich - 429112

Packaging
1, 10 g in glass bottle