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About This Item
Linear Formula:
BrC6H3(NO2)OH
CAS Number:
Molecular Weight:
218.00
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
98%
mp
90-94 °C (lit.)
SMILES string
Oc1ccc(Br)cc1[N+]([O-])=O
InChI
1S/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChI key
CUTFAPGINUFNQM-UHFFFAOYSA-N
General description
The Suzuki coupling of 4-bromo-2-nitrophenol with boronic acid was studied.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Adwoa Akwabi-Ameyaw et al.
Bioorganic & medicinal chemistry letters, 19(16), 4733-4739 (2009-07-10)
Two series of conformationally constrained analogs of the FXR agonist GW 4064 1 were prepared. Replacement of the metabolically labile stilbene with either benzothiophene or naphthalene rings led to the identification of potent full agonists 2a and 2g.
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