structure of 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

CAS No.: 1003298-87-0
M. Wt: 288.96300
M. Fa: C12H15BCl2O3
InChI Key: IAVSUBSFIDLDNW-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1003298-87-0

CAS Number

1003298-87-0

MDL Number

MFCD20526385

IUPAC Name

2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

InChI

InChI=1S/C12H15BCl2O3/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6,16H,1-4H3

InChIKey

IAVSUBSFIDLDNW-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1003298-87-0

Acidity coefficient

6.72±0.40(Predicted)

Boiling Point

103 °C/0.3 mmHg

Density

1.28

Exact Mass

288.04900

Flash Point

176 °C

LogP

2.99820

Melting Point

110 °C

Molecular Formula

C12H15BCl2O3

Molecular Weight

288.96300

PSA

38.69000

Solubility

soluble in Methanol

Storage condition

Inert atmosphere,Room Temperature

Safety Information of 1003298-87-0

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1003298-87-0

This compound finds applications in:

  • Organic Synthesis: It serves as an intermediate in the synthesis of complex organic molecules.
  • Pharmaceutical Chemistry: Potentially useful in drug development due to its unique structural properties.
  • Material Science: May be utilized in developing functional materials or polymers through cross-coupling reactions.

Physical sample testing spectrum (NMR) of 1003298-87-0

Physical sample testing spectrum (NMR) of 1003298-87-0

Retrosynthesis analysis of 1003298-87-0

  • Route#1

    Cas:3217-15-0
    Cas:73183-34-3
    Cas:1003298-87-0
  • Route#2

    Cas:1984-65-2
    Cas:1003298-87-0