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About This Item
Empirical Formula (Hill Notation):
C10H7BrO
CAS Number:
Molecular Weight:
223.07
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
95%
Form:
solid
InChI
1S/C10H7BrO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
SMILES string
Oc1ccc(Br)c2ccccc12
InChI key
OUNQUWORSXHSJN-UHFFFAOYSA-N
assay
95%
form
solid
mp
128-133 °C
functional group
bromo
Quality Level
Related Categories
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
257.0 °F - closed cup
flash_point_c
125 °C - closed cup
Regulatory Information
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Marko Weimar et al.
The Journal of organic chemistry, 75(8), 2718-2721 (2010-03-23)
Starting from Dane's diene and methylcyclopentenedione, (+)-estrone is synthesized along the Quinkert-Dane route in 24% total yield. The key step is an enantioselective Diels-Alder reaction promoted by an amidinium catalyst as efficiently as by a traditional Ti-TADDOLate Lewis acid.
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