2-Formyl-3-thienylboronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.4347-31-3

CAS: 4347-31-3 Cat. No.: F170353 Molecular Weight: 155.97 EC Number: 670-244-6

GRADE & PURITY ≥95%

Synonyms

(2-formyl-3-thienyl) boronic acid | SCHEMBL334122 | AB08152 | DTXSID00378453 | Z1255360929 | (2-formyl-3-thienyl)boronic acid;2-Formylthiophene-3-boronic Acid | Boronic acid, (2-formyl-3-thienyl)- | AKOS015837498 | A826290 | (2-formylthiophen-3-yl)boronic

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(2-formyl-3-thienyl) boronic acid | SCHEMBL334122 | AB08152 | DTXSID00378453 | Z1255360929 | (2-formyl-3-thienyl)boronic acid;2-Formylthiophene-3-boronic Acid | Boronic acid, (2-formyl-3-thienyl)- | AKOS015837498 | A826290 | (2-formylthiophen-3-yl)boronic

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193494
• Canonical Smiles: B(C1=C(SC=C1)C=O)(O)O
• IUPAC Name: (2-formylthiophen-3-yl)boronic acid
• InChIKey: BBENFHSYKBYWJX-UHFFFAOYSA-N
• INCHI: 1S/C5H5BO3S/c7-3-5-4(6(8)9)1-2-10-5/h1-3,8-9H
• Isomeric SMILES: B(C1=C(SC=C1)C=O)(O)O
• WGK Germany: 3
• Molecular Weight: 155.97
• Reaxy-Rn: 4393584
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4393584&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Thiophenes Heteroaromatic compounds Boronic acids Organic metalloid salts Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Thiophene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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: air sensitive
• Melt Point(°C): 167-193°C
• Molecular Weight: 155.970 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 156.005 Da
• Monoisotopic Mass: 156.005 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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

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