3-((4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)benzonitrile

Name: 3-((4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)benzonitrile
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CAS No. 517920-57-9
Cat. No. CS-0174446
Molecule weight243.11
Purity≥96%
MDL No.None

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3-((4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)benzonitrile|CS-0174446

Structure of 517920-57-9

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General Information

CAS No. 517920-57-9
Cat. No. CS-0174446
Purity ≥96%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₈BNO₂
Molecular Weight 243.11
Synonym(s) 3-Cyanobenzylboronic acid pinacol ester
SMILES CC1(C(C)(OB(O1)CC2=CC=CC(C#N)=C2)C)C

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 42.25
LogP 2.73218
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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3-((4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)benzonitrile

CAS No. 517920-57-9

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