bromo(3-methylpyridin-2-yl)zinc

• ChemBase ID: 148548
• Molecular Formular: C6H6BrNZn
• Molecular Mass: 237.40254
• Monoisotopic Mass: 234.8975032
• SMILES: Cc1cccnc1[Zn]Br
• Canonical SMILES: Br[Zn]c1ncccc1C
• InChI: InChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-4H,1H3;1H;/q;;+1/p-1
• InChIKey: FOBTXKOQXHBODO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3-methylpyridin-2-yl)zinc
• IUPAC Traditional name: bromo(3-methylpyridin-2-yl)zinc
• Synonyms: 3-Methyl-2-pyridylzinc bromide solution; 3-甲基-2-吡啶溴化锌 溶液

Database IDs

• CAS Number: 308795-91-7
• EC Number: 203-726-8
• MDL Number: MFCD01311465
• PubChem SID: 162242723; 24873244
• PubChem CID: 16133065

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4511148
• LogD (pH = 7.4): 2.0297081
• Log P: 2.0462
• Molar Refractivity: 37.4073 cm^3
• Polarizability: 17.403864 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.981 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C6H6BrNZn

DETAILS

Sigma Aldrich - 498971

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.