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4-Bromopyrene

Catalog Number
ACM1732269-1
CAS Number
1732-26-9
Product Name
4-Bromopyrene
Structure
Category
Small Molecule Semiconductor Building Blocks; Electroluminescence Materials; Semiconductor Blocks
IUPAC Name
4-bromopyrene
Molecular Weight
281.14
Molecular Formula
C16H9Br
Canonical SMILES
C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)Br
InChI
InChI=1S/C16H9Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChI Key
QMHTZTOPYZKQLC-UHFFFAOYSA-N
Melting Point
152 °C
Purity
97%
Appearance
White to Yellow to Orange powder to crystal
Complexity
300
Covalently-Bonded Unit Count
1
Exact Mass
279.98876g/mol
Formal Charge
0
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
17
Log P
5.84 (LogP)
Monoisotopic Mass
279.98876g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Rotatable Bond Count
0
XLogP3
5.7
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