4-tert-Butoxymethylphenylboronic acid

Base Information

• Chemical Name: 4-tert-Butoxymethylphenylboronic acid
• CAS No.: 1024017-53-5
• Molecular Formula: C6H4BrIZn
• Molecular Weight: 208.065
• Hs Code.: 2931900090
• European Community (EC) Number: 691-028-8
• DSSTox Substance ID: DTXSID30395330
• Wikidata: Q82195357
• Mol file: 1024017-53-5.mol

Synonyms:1024017-53-5;4-tert-Butoxymethylphenylboronic acid;4-(tert-butoxymethyl)phenylboronic acid;(4-(tert-Butoxymethyl)phenyl)boronic acid;[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic Acid;4-(tert-Butoxymethyl)benzeneboronic acid;Boronic acid, B-[4-[(1,1-dimethylethoxy)methyl]phenyl]-;(4-(tert-Butoxymethyl)phenyl)boronicacid;SCHEMBL1444817;AMY1112;DTXSID30395330;SWBBCXVELDRAPH-UHFFFAOYSA-N;MFCD03701685;4-tert-butoxymethylbenzeneboronic acid;4-tert-butyloxymethylphenylboronic acid;AKOS004116471;AB15800;PS-9418;4-(t-butoxymethyl-)-phenylboronic acid;CS-0175410;4-tert-Butoxymethylphenylboronic acid, AldrichCPR;A800570

Chemical Property of 4-tert-Butoxymethylphenylboronic acid

Chemical Property:

• Boiling Point: 325.5±44.0 °C(Predicted)
• PKA: 8.54±0.16(Predicted)
• Flash Point: 1 °F
• PSA: 49.69000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 0.68150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.1270746
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

98.5% ^*data from raw suppliers

4-(tert-Butoxymethyl)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)COC(C)(C)C)(O)O