4-(trans-4-Propylcyclohexyl)phenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.146862-02-4

CAS: 146862-02-4 Cat. No.: T190996 Molecular Weight: 246.15 EC Number: 808-207-5 PubChem CID: 3104710

GRADE & PURITY ≥98%

Synonyms

Boronic acid, B-[4-(4-propylcyclohexyl)phenyl]- | [4-(Trans-4-propylcyclohexyl)phenyl]- boronic acid | SY042608 | (4-(trans-4-propylcyclohexyl)phenyl)boronic acid | D83706 | [4-(Trans-4-propylcyclohexyl)phenyl]boronic acid | MFCD06658197 | [4-(4-propylcyc

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Boronic acid, B-[4-(4-propylcyclohexyl)phenyl]- | [4-(Trans-4-propylcyclohexyl)phenyl]- boronic acid | SY042608 | (4-(trans-4-propylcyclohexyl)phenyl)boronic acid | D83706 | [4-(Trans-4-propylcyclohexyl)phenyl]boronic acid | MFCD06658197 | [4-(4-propylcyc

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194302
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194302
• Canonical Smiles: B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O
• IUPAC Name: [4-(4-propylcyclohexyl)phenyl]boronic acid
• InChIKey: QTBUVZSHCNAPRT-UHFFFAOYSA-N
• INCHI: 1S/C15H23BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13,17-18H,2-7H2,1H3
• Isomeric SMILES: B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O
• PubChem CID: 3104710
• Molecular Weight: 246.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Solubility: Slightly soluble in Methanol
• Molecular Weight: 246.150 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 246.179 Da
• Monoisotopic Mass: 246.179 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 229.000
• 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