4,4'-Biphenyldiboronic acid

Catalog Number

ACM4151808-2

Product Name

4,4'-Biphenyldiboronic acid

Structure

CAS

4151-80-8

Category

Heterocyclic Organic Compound

Description

Reactant involved in synthesis of:• Organic field-effect transistors based on organic semiconductors containing diazaboroles• Cycloparaphenylenes via Suzuki coupling• 1,3,2-Diazaboroine derivatives for organic thin-film transistor applications• Back-to-back coupled 2,6-bis(triazol-1-yl)pyridine molecules• Rectangular host via electrochemical reactions with methylaquacobaloxime and diamine• Arylboronates from reactions with catechol, dihydroxynaphthalene and diaminobenzenedithiol for use as organic field-effect transistors and light emitting diodes

Synonyms

4,4'-(Dihydroxyboryl)-1,1'-biphenyl, 4,4'-Biphenylenediboronic acid

IUPAC Name

[4-(4-boronophenyl)phenyl]boronic acid

Molecular Weight

241.84

Molecular Formula

C12H12B2O4

Canonical SMILES

B(C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O)(O)O

InChI

InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H

InChI Key

SLHKDOGTVUCXKX-UHFFFAOYSA-N

Boiling Point

505.9 ºC at 760 mmHg

Melting Point

300 °C (dec.)-lit.

Flash Point

Not applicable

Density

1.31g/cm³

Appearance

White solid powder

Complexity

221

Covalently-Bonded Unit Count

1

Exact Mass

242.092169g/mol

Formal Charge

0

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

4

H-Bond Donor

4

Heavy Atom Count

18

Monoisotopic Mass

242.092169g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

3

Safety Description

S26-S36

Signal Word

Warning

WGK Germany

3

MSDS

COA

Spec Sheet