2-Chloro-3-methylpyridine-5-boronic acid

Base Information

• Chemical Name: 2-Chloro-3-methylpyridine-5-boronic acid
• CAS No.: 1003043-40-0
• Molecular Formula: C6H7BClNO2
• Molecular Weight: 171.391
• Hs Code.: 29319090
• European Community (EC) Number: 680-962-1
• ChEMBL ID: CHEMBL3236631
• DSSTox Substance ID: DTXSID00590375
• Wikidata: Q72454875
• Mol file: 1003043-40-0.mol

Synonyms:1003043-40-0;2-Chloro-3-methylpyridine-5-boronic acid;(6-Chloro-5-methylpyridin-3-yl)boronic acid;6-CHLORO-5-METHYLPYRIDINE-3-BORONIC ACID;2-chloro-3-methyl-5-pyridineboronic acid;6-chloro-5-methylpyridin-3-ylboronic acid;MFCD03411564;BORONIC ACID, B-(6-CHLORO-5-METHYL-3-PYRIDINYL)-;(6-CHLORO-5-METHYL-3-PYRIDYL)BORONIC ACID;2-CHLORO-3-PICOLINE-5-BORONIC ACID;SCHEMBL393995;CHEMBL3236631;AMY7965;DTXSID00590375;WWOOKOBRTKSRLV-UHFFFAOYSA-N;2-Chloro-3-picoline-5-boronicacid;AKOS006344922;AB14149;CS-W017648;2-Chloro-3-methyl-5-pyridineboronicacid;AC-33493;DS-11162;SY016897;DB-010369;C3588;A16165;EN300-212553;F15472;J-501664;2-Chloro-3-methylpyridine-5-boronic acid, AldrichCPR

Chemical Property of 2-Chloro-3-methylpyridine-5-boronic acid

Chemical Property:

• Appearance/Colour: off-white solid
• Melting Point: 180-183 °C
• Boiling Point: 358.744 °C at 760 mmHg
• PKA: 6.78±0.11(Predicted)
• Flash Point: 170.763 °C
• PSA: 53.35000
• Density: 1.347 g/cm³
• LogP: -0.27680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0258363
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-3-methylpyridine-5-boronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(N=C1)Cl)C)(O)O