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About This Item
Empirical Formula (Hill Notation):
C5H5BBrNO2
CAS Number:
Molecular Weight:
201.81
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352103
MDL number:
assay
≥95%
form
powder
mp
260 (dec.)
storage temp.
2-8°C
SMILES string
OB(O)c1cncc(Br)c1
InChI
1S/C5H5BBrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
InChI key
ICCGFOKNFZWCTJ-UHFFFAOYSA-N
General description
May contain varying amounts of anhydride.
Application
Reactant for preparation of:
- Thienylpyridyl garlands via cross-coupling with heteroaryl halides
- Arenes via nickel-catalyzed cross-coupling with potassium aryl- and heteroaryl trifluoroborates
- Meso-substituted ABCD-type porphyrins by functionalization reactions
- Analogs of (acetylamino)(dimethylpyrazol)(pyridyl)pyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson′s disease
- 5-hydroxy-1,3,2-dioxaborolan-4-ones boronate-amine complexes via heterocyclization with α-oxocarboxylic acids followed by subsequent complexation
- Radioligands with optimized brain kinetics for PET imaging of nAChR
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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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 686816-5G | 04061832905532 |
| 686816-1G | 04061826138397 |
