(5-Chloropyridin-3-yl)boronic acid

Base Information

• Chemical Name: (5-Chloropyridin-3-yl)boronic acid
• CAS No.: 872041-85-5
• Molecular Formula: C5H5BClNO2
• Molecular Weight: 157.364
• Hs Code.: 2933399090
• European Community (EC) Number: 677-212-0
• DSSTox Substance ID: DTXSID70602590
• Wikidata: Q72458397
• Mol file: 872041-85-5.mol

Synonyms:872041-85-5;5-Chloropyridine-3-boronic acid;(5-chloropyridin-3-yl)boronic acid;5-CHLORO-3-PYRIDINEBORONIC ACID;5-Chloropyridin-3-ylboronic acid;3-Chloropyridine-5-boronic acid;(5-CHLORO-3-PYRIDYL)BORONIC ACID;MFCD06798243;5-Chloro-3-pyridinyl boronic acid;5-Chloro-3-pyridinylboronic Acid;SCHEMBL315514;5-chloro3-pyridinyl boronic acid;AMY1118;DTXSID70602590;5-chloropyridine-3-ylboronic acid;NJXYBTMCTZAUEE-UHFFFAOYSA-N;(5-chloropyridin-3-yl)boronicacid;5-chloropyridin-3-yl boronic acid;BCP21926;BBL102093;STL555892;AKOS015856098;AB29845;BS-2123;CS-W000997;AC-26392;BP-11078;SY043355;5-Chloro-3-pyridineboronic acid, >=95%;DB-000493;EN300-7088327;A842032;J-501575;5-Chloropyridine-3-boronic Acid

Chemical Property of (5-Chloropyridin-3-yl)boronic acid

Chemical Property:

• Melting Point: 255-260 °C
• Refractive Index: 1.559
• Boiling Point: 335.3 °C at 760 mmHg
• PKA: 5.91±0.10(Predicted)
• Flash Point: 156.6 °C
• PSA: 53.35000
• Density: 1.41 g/cm³
• LogP: -0.58520
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.0101863
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98% ^*data from raw suppliers

5-Chloropyridine-3-boronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CN=C1)Cl)(O)O
• Uses: 5-Chloro-3-pyridineboronic acid can be used as an intermediate:In the preparation of positron emission tomography (PET) radioligand [11C]MK-1064, which is applicable in the orexin-2 receptor imaging.In the synthesis of orexin 2 receptor antagonist (2-SORA) MK-1064.In the preparation of pyridyl-cycloalkyl derived microsomal prostaglandin E synthase-1 inhibitors.In the synthesis of ATAD2 bromodomain inhibitors.