Boronic acid, [2-(methylthio)phenyl]-


Chemical Name: Boronic acid, [2-(methylthio)phenyl]-
CAS Number: 168618-42-6
Product Number: AG001Y74(AGN-PC-07HAG6)
Synonyms:
MDL No:
Molecular Formula: C7H9BO2S
Molecular Weight: 168.0212

Identification/Properties


Properties
MP:
77-83 °C(lit.)
BP:
327.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1,423-1,425
Computed Properties
Molecular Weight:
168.017g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
121
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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