Benzeneacetonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-


Chemical Name: Benzeneacetonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number: 396131-82-1
Product Number: AG00I7SE(AGN-PC-0KKVD9)
Synonyms:
MDL No:
Molecular Formula: C14H18BNO2
Molecular Weight: 243.1092

Identification/Properties


Properties
MP:
44-48 °C
BP:
379.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
243.113g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
243.143g/mol
Monoisotopic Mass:
243.143g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
342
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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