ICBA
Catalog Number
ACM1207461571-1
CAS
1207461-57-1
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
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.
Molecular Weight
952.99
Molecular Formula
C78H16
Product Information
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).
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
InChIKey
YLXQIZGBVUNXAF-UHFFFAOYSA-N
Melting Point
260 °C
Purity
>98.5%HPLC
Appearance
Black powder to crystal
storage
Store under inert gas
Complexity
2880
Condition To Avoid
Light Sensitive
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.
Heavy Atom Count
78
MDL Number
MFCD20264904
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.
Reaxys Registry Number
6843004
Rotatable Bond Count
0
Signal Word
Danger
Monoisotopic Mass
952.125201g/mol
Exact Mass
952.125201g/mol
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