3,4-Dichlorophenylboronic acid, pinacol ester - ≥98% , CAS No.401797-02-2

CAS: 401797-02-2 Cat. No.: D184325 Summenformel: C₁₂H₁₅BCl₂O₂ Molekulargewicht: 273 EG-Nummer: 108-625-1

GRADE & PURITY ≥98%

Synonyms

FS-4807 | A873427 | BRA79702 | MFCD05663853 | 2-(3,4-DICHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE | DTAZBCNEXKOLPE-UHFFFAOYSA-N | DTXSID60579282 | D71336 | AB21957 | AKOS015951147 | 3,4-dichlorophenylboronic acid, pinacol ester, AldrichCPR | Z3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FS-4807 | A873427 | BRA79702 | MFCD05663853 | 2-(3,4-DICHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE | DTAZBCNEXKOLPE-UHFFFAOYSA-N | DTXSID60579282 | D71336 | AB21957 | AKOS015951147 | 3,4-dichlorophenylboronic acid, pinacol ester, AldrichCPR | Z3

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504767974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767974

Kanonisches Lächeln

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)Cl

IUPAC Name

2-(3,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChIKey

DTAZBCNEXKOLPE-UHFFFAOYSA-N

INCHI

1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,1-4H3

Isomere SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)Cl

Molekulargewicht

273

Reaxy-Rn

9052330

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9052330&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl chloride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organochloride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 273.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 272.054 Da
• Monoisotopic Mass: 272.054 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 280.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 401797-02-2, the molecular formula is C12H15BCl2O2, and the molecular weight is 273 g/mol. InChIKey DTAZBCNEXKOLPE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.