CAS 803727-09-5 Tris[4-(5-phenylthiophen-2-yl)phenyl]amine

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Tris[4-(5-phenylthiophen-2-yl)phenyl]amine

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Catalog Number

ACM803727095

CAS Number

803727-09-5

Product Name

Tris[4-(5-phenylthiophen-2-yl)phenyl]amine

Category

Dye-Sensitized Solar Cell (DSSC) Materials; Organic Solar Cell (OPV) Materials

IUPAC Name

4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline

Molecular Weight

719.98

Molecular Formula

C48H33NS3

Canonical SMILES

C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=C(S8)C9=CC=CC=C9

InChI

InChI=1S/C48H33NS3/c1-4-10-34(11-5-1)43-28-31-46(50-43)37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-32-29-44(51-47)35-12-6-2-7-13-35)42-26-20-39(21-27-42)48-33-30-45(52-48)36-14-8-3-9-15-36/h1-33H

InChI Key

UJZRJDHTDMTGAP-UHFFFAOYSA-N

Melting Point

213 °C

Purity

>98.0%HPLC

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Complexity

922

Covalently-Bonded Unit Count

Exact Mass

719.177514g/mol

Formal Charge

Hazard Statements

H413 : May cause long lasting harmful effects to aquatic life.

Heavy Atom Count

MDL Number

MFCD00010719

Monoisotopic Mass

719.177514g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.

Rotatable Bond Count

Signal Word

Warning

XLogP3

14.2

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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