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4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl

Catalog Number
ACM1047684569
CAS Number
1047684-56-9
Product Name
4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl
Structure
Category
Ligands for Functional Metal Complexes; Dye-Sensitized Solar Cell (DSSC) Materials
Synonyms
4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine
IUPAC Name
4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)pyridin-2-yl]pyridine;
Molecular Weight
488.75
Molecular Formula
C30H36N2S2
Canonical SMILES
CCCCCCC1=CC=C(S1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(S4)CCCCCC;
InChI
InChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChI Key
DCFNCZSDXIPGOQ-UHFFFAOYSA-N
Purity
>98.0%HPLCN
Appearance
Solid
Complexity
510
Covalently-Bonded Unit Count
1
Exact Mass
488.232g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
34
MDL Number
MFCD22581259
Monoisotopic Mass
488.232g/mol
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
13
Signal Word
Warning
Topological Polar Surface Area
82.3A^2
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