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

Catalog Number

ACM1047684569

CAS

1047684-56-9

IUPAC Name

4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)pyridin-2-yl]pyridine;

Synonyms

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

Molecular Weight

488.75

Molecular Formula

C30H36N2S2

Product Information

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

InChIKey

DCFNCZSDXIPGOQ-UHFFFAOYSA-N

Purity

>98.0%HPLCN

Appearance

Solid

Complexity

510

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD22581259

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.

Reaxys Registry Number

18736873

Rotatable Bond Count

Signal Word

Warning

Monoisotopic Mass

488.232g/mol

Topological Polar Surface Area

82.3A^2

Exact Mass

488.232g/mol