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3,6-Dibromophenanthrene-9,10-dione

Catalog Number
ACM53348053
CAS Number
53348-05-3
Product Name
3,6-Dibromophenanthrene-9,10-dione
Structure
Category
Small Molecule Semiconductor Building Blocks
Synonyms
3,6-Dibromo-9,10-phenanthrenequinone;3,6-Dibromophenanthrene-9,10-dione;3,6-DibroMo-phenanthrenequ;3,6-Dibromo-9,10-dihydrophenantChemicalbookhrene-9,10-dione;3,6-Dibromo-9,10-phenanthrenedione;3,6-Dibromo-phenanthrenequinoneISO9001:2015REACH;6-Dibromo-phenanthrenequinone
IUPAC Name
3,6-dibromophenanthrene-9,10-dione
Molecular Weight
366.01
Molecular Formula
C14H6Br2O2
Canonical SMILES
C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O
InChI
InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
InChI Key
WPEJBJRFPBMVGJ-UHFFFAOYSA-N
Boiling Point
291 °C
Melting Point
291 °C
Purity
95%+
Density
Air Sensitive
Appearance
Light yellow to brown powder to crystal
Application
3,6-Dibromophenanthrene-9,10-dione is an organic compound characterized by its phenanthrenequinone structure and the inclusion of two bromine atoms, which enhance its electron density and reactivity. This makes it particularly valuable in the field of organic synthesis. Beyond its chemical reactivity, it is also extensively utilized in the development of organic electronic devices, solar cells, and optoelectronic materials, highlighting its versatility and significance in advanced technological applications.
Storage
Store under inert gas
Complexity
346
Covalently-Bonded Unit Count
1
Exact Mass
365.87141g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
18
MDL Number
MFCD00451676
MeSH Entry Terms
3,6-dibromophenanthrene-9,10-quinone
Monoisotopic Mass
363.87345g/mol
NSC Number
87364
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
0
Signal Word
Warning
XLogP3
3.9
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