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About This Item
Empirical Formula (Hill Notation):
C13H16BNO2
CAS Number:
Molecular Weight:
229.08
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352103
MDL number:
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
SMILES string
CC1(C)OB(OC1(C)C)c2ccc(cc2)C#N
InChI key
HOPDTPGXBZCBNP-UHFFFAOYSA-N
assay
97%
mp
95-99 °C (lit.)
signalword
Warning
hcodes
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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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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