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About This Item
Empirical Formula (Hill Notation):
C7H6BrNO2
CAS Number:
Molecular Weight:
216.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
Quality Level
assay
97%
form
solid
mp
96-100 °C
functional group
bromo, ester
SMILES string
COC(=O)c1cncc(Br)c1
InChI
1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
InChI key
AAJZXPWBILCHAW-UHFFFAOYSA-N
Application
Substrate used in a microwave-assisted, palladium-catalyzed arylation of acetone as its TMS enol ether.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - 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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Tetrahedron Letters, 48, 1213-1213 (2007)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 657425-5G | 04061832250519 |

