chempirical

P-Tolylboronic acid

C7H9BO2CAS 5720-05-8135.96 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C7H9BO2
Molar mass
135.96 g/mol
Exact mass
136.0696 Da
Melting point
240 °C
logP
-0.33Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
5720-05-8
SMILES
Cc1ccc(B(O)O)cc1
InChIKey
BIWQNIMLAISTBV-UHFFFAOYSA-N
InChI
InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Boronic acid, B-(4-methylphenyl)-
  • p-Tolueneboronic acid
  • Boronic acid, (4-methylphenyl)-
  • B-(4-Methylphenyl)boronic acid
  • p-Methylbenzeneboronic acid
  • 4-Methylbenzeneboronic acid
  • (p-Methylphenyl)boronic acid
  • (4-Methylphenyl)boronic acid
  • 4-Tolylboronic acid
  • 4-Tolueneboronic acid
  • NSC 62870

Work with P-Tolylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3,5-Dimethylphenyl)boronic acid172975-69-857 % similar (4-Hydroxyphenyl)boronic acid71597-85-852 % similar P-Xylene106-42-350 % similar 4-tert-Butylphenylboronic acid123324-71-050 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar (4-Fluorophenyl)boronic acid1765-93-150 % similar [4-(Trimethylsilyl)phenyl]boronic acid17865-11-150 % similar 4-(Dimethylamino)phenylboronic acid28611-39-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methylphenylboronic acid16419-60-6 3-Methylphenylboronic acid17933-03-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook