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About This Item
Empirical Formula (Hill Notation):
C6H6BrN
CAS Number:
Molecular Weight:
172.02
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
96%
refractive index
n20/D 1.556
density
1.450 g/mL at 25 °C
SMILES string
Cc1cc(Br)ccn1
InChI
1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChI key
JFBMFWHEXBLFCR-UHFFFAOYSA-N
Application
Starting material used in a synthesis of crown-ester-bipyridines and viologens via sodium or nickel reductive coupling, side chain oxidation and esterification.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
174.0 °F - closed cup
Flash Point(C)
78.9 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Synthesis, 907-907 (2005)
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