CAS 1207461-57-1 ICBA - Materials / Alfa Chemistry

NAVIGATION

ICBA

PRICE INQUIRY

Catalog Number

ACM1207461571-1

CAS Number

1207461-57-1

Product Name

ICBA

Structure

Category

3D Printing Materials; Carbon Nanomaterials; Dye-Sensitized Solar Cell (DSSC) Materials; Electronic Materials; Organic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) Materials

Synonyms

1',1'',4',4''-Tetrahydro-di[1,4]methanonaphthaleno[1,2:2',3',56,60:2'',3''][5,6]fullerene-C60,C60 derivative, indene-C60 bisadduct

Description

ICBA is a C60 derivative that can be synthesized from C60 and indene. It is an acceptor material with shallow lowest occupied molecular orbital(LUMO) which can be used to enhance the performance of polymeric solar cells(PSCs).

Molecular Weight

952.99

Molecular Formula

C78H16

Canonical SMILES

C1C2C3=CC=CC=C3C1C45C26C7=C8C9=C1C2=C3C%10=C9C9=C%11C%12=C%10C%10=C%13C%14=C%12C%12=C%15C%16=C(C4=C4C%17=C%16C%16=C%18C%19=C%17C%17=C%20C%21=C%19C%19=C%22C%23=C%21C%21=C(C1=C7C(=C%21%20)C6=C%174)C2=C%23C(=C3%10)C%221C%13(C2CC1C1=CC=CC=C21)C(=C%18%19)C%14=C%15%16)C(=C%12%11)C5=C98

InChI

InChI=1S/C78H16/c1-2-6-12-11(5-1)15-9-16(12)76-69-53-37-23-25-41-29(37)30-38-24-26-42(30)58-57(41)73-65-49(25)33-31-43-19-21-39-27-28-36-20-22-40(28)56-55(39)71(63(65)47(21)33)77-17-10-18(14-8-4-3-7-13(14)17)78(73,77)74(58)66-50(26)34(48(22)64(66)72(56)77)32-44(20)60(62(46(24)32)70(76)54(38)53)68-52(36)51(35(19)27)67(75(15,68)76)59(43)61(69)45(23)31/h1-8,15-18H,9-10H2

InChI Key

YLXQIZGBVUNXAF-UHFFFAOYSA-N

Melting Point

260 °C

Purity

>98.5%HPLC

Appearance

Black powder to crystal

Application

ICBA can be used with poly(3-hexylthiophene)(P3HT) as an active layer which can be used in the fabrication of organic solar cells(OSCs).ICBA in combination with thiazolo-thiazolo can be used as a donor. It can be blended with PCBM for photovoltaic based application.

Storage

Store under inert gas

Assay

99% (HPLC)

Complexity

2880

Covalently-Bonded Unit Count

Exact Mass

952.125201g/mol

Form

ITO/PEDOT:PSS/P3HT: ICBA (1:1)/Al• Short-circuit current density (Jsc): 10.82 mA/cm² • Open-circuit voltage (Voc): 0.78 V• Fill Factor (FF): 0.56• Power Conversion Efficiency (PCE): 4.65 %

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.

Heavy Atom Count

MDL Number

MFCD20264904

Monoisotopic Mass

952.125201g/mol

Packaging

250 mg in glass insert

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

18.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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