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About This Item
Empirical Formula (Hill Notation):
C6H6BrNO
CAS Number:
Molecular Weight:
188.02
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
95%
refractive index
n20/D 1.555 (lit.)
bp
80 °C/12 mmHg (lit.)
density
1.453 g/mL at 25 °C (lit.)
SMILES string
COc1ccc(Br)cn1
InChI
1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChI key
XADICJHFELMBGX-UHFFFAOYSA-N
Application
A building block for the β-alanine moiety of an αvβ3 antagonist and for the synthesis of a potent and selective somatostatin sst3 receptor antagonist.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
204.8 °F - closed cup
Flash Point(C)
96 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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A series of 3-substituted tetrahydro-[1,8]naphthyridine containing alpha(v)beta(3) antagonists was prepared. A comparison of their in vitro IC(50) values to the electron properties of the 3-substituents revealed a good linear Hammett correlation (rho=-1.96, R(2)=0.959). Electron-withdrawing groups at the 3-position of the
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