2,3-Dichloropyridine-4-boronic acid pinacol ester - ≥97% , CAS No.1073353-78-2

CAS: 1073353-78-2 Cat. No.: D165783 Molecular Weight: 273.95 EC Number: 681-266-0

GRADE & PURITY ≥97%

Synonyms

DTXSID20660605 | AKOS005259314 | AMY17872 | J-001809 | AS-18764 | 1073353-78-2 | EN300-7383971 | 2,3-Dichloropyridine-4-boronic acid pinacol ester, 97% | 2,3-Dichloropyridine-4-boronic acid, pinacol ester | SY104551 | MFCD06798257 | 2,3-DICHLORO-4-(TETRAM

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID20660605 | AKOS005259314 | AMY17872 | J-001809 | AS-18764 | 1073353-78-2 | EN300-7383971 | 2, 3-Dichloropyridine-4-boronic acid pinacol ester, 97% | 2, 3-Dichloropyridine-4-boronic acid, pinacol ester | SY104551 | MFCD06798257 | 2, 3-DICHLORO-4-(TETRAM

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770477
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770477
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)Cl)Cl
• IUPAC Name: 2,3-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• InChIKey: LRQNNFMOVWWIHA-UHFFFAOYSA-N
• INCHI: 1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-15-9(14)8(7)13/h5-6H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)Cl)Cl
• WGK Germany: 1
• Molecular Weight: 273.95
• Reaxy-Rn: 23491960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23491960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic metalloid moeity - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 274.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 273.049 Da
• Monoisotopic Mass: 273.049 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3