948592-80-1

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948592-80-1 Structure

Identification	Back Directory
[Name] 2-AMINO-5-METHYLPHENYBORONIC ACID, PINACOL ESTER
[CAS] 948592-80-1
[Synonyms] 2-AMINO-5-METHYLPHENYBORONIC ACID, PINACOL ESTER 2-Amino-5-methylbenzeneboronic acid, pinacol ester 4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4-methylphenylamine 4-Methyl-2-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenylaMine Benzenamine, 4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-amino-5-methylphenyl)boronate
[Molecular Formula] C13H20BNO2
[MDL Number] MFCD06795664
[MOL File] 948592-80-1.mol
[Molecular Weight] 233.11

Chemical Properties	Back Directory
[Melting point ] 82-85°C
[Boiling point ] 355.7±35.0 °C(Predicted)
[density ] 1.03±0.1 g/cm3(Predicted)
[storage temp. ] under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Solid
[pka] 4.33±0.10(Predicted)
[color ] White to Off-White
[InChI] 1S/C13H20BNO2/c1-9-6-7-11(15)10(8-9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
[InChIKey] LOOBNTHIWCHTCR-UHFFFAOYSA-N
[SMILES] B2(OC(C(O2)(C)C)(C)C)c1c(ccc(c1)C)N

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 22
[WGK Germany ] 3
[HS Code ] 2931900090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Hazard Information	Back Directory
[Uses] 2-Amino-5-methylphenyboronic acid, pinacol ester

Spectrum Detail	Back Directory
[Spectrum Detail] 2-AMINO-5-METHYLPHENYBORONIC ACID, PINACOL ESTER(948592-80-1)¹HNMR

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