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527556

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
NACRES:
NA.22
PubChem Substance ID:
24874625
UNSPSC Code:
12352103
MDL number:
MFCD03093897
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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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBJ0883
SHBJ3848
SHBF1974V
36996HK
01728EJ

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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