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527556

Sigma-Aldrich

4-Cyanophenylboronic acid pinacol ester

97%

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C13H16BNO2
CAS Number:
171364-82-2
Molecular Weight:
229.08
MDL number:
MFCD03093897
UNSPSC Code:
12352103
PubChem Substance ID:
24874625
NACRES:
NA.22

Assay

97%

mp

95-99 °C (lit.)

SMILES string

CC1(C)OB(OC1(C)C)c2ccc(cc2)C#N

InChI

1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3

InChI key

HOPDTPGXBZCBNP-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Tryfon Zarganes-Tzitzikas et al.
Molecules (Basel, Switzerland), 24(7) (2019-04-17)
Imaging techniques, such as positron emission tomography (PET), represent great progress in the clinical development of drugs and diagnostics. However, the efficient and timely synthesis of appropriately labeled compounds is a largely unsolved problem. Numerous small drug-like molecules with high

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