4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazole - ≥97% , CAS No.863238-73-7

CAS: 863238-73-7 Cat. No.: T195391 Molecular Weight: 436.35 PubChem CID: 45789683

GRADE & PURITY ≥97%

Synonyms

AKOS015842292 | RB2082 | FT-0645589 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-1H-pyrazole | C28H29BN2O2 | NJVKYFHOQLLDHU-UHFFFAOYSA-N | SY047309 | DTXSID10671942 | MFCD10698507 | AM62734 | Not available;1-Trityl-1H-pyrazole-4-b

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS015842292 | RB2082 | FT-0645589 | 4-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1-(triphenylmethyl)-1H-pyrazole | C28H29BN2O2 | NJVKYFHOQLLDHU-UHFFFAOYSA-N | SY047309 | DTXSID10671942 | MFCD10698507 | AM62734 | Not available;1-Trityl-1H-pyrazole-4-b

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770633
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770633
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazole
• InChIKey: NJVKYFHOQLLDHU-UHFFFAOYSA-N
• INCHI: 1S/C28H29BN2O2/c1-26(2)27(3,4)33-29(32-26)25-20-30-31(21-25)28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
• PubChem CID: 45789683
• Molecular Weight: 436.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Monocyclic benzene moiety - Azole - Boronic acid ester - 1,3,2-dioxaborolane - Pyrazole - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Molecular Weight: 436.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 436.232 Da
• Monoisotopic Mass: 436.232 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 589.000
• 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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