2,2'':7'',2''''-Ter-9,9'-spirobi[9H-fluorene]

Catalog Number

ACM518997916-2

CAS

518997-91-6

IUPAC Name

2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]

Synonyms

TSBF

Molecular Weight

945.18

Molecular Formula

C75H44

Product Information

Canonical SMILES

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)C7=CC8=C(C=C7)C9=C(C81C2=CC=CC=C2C2=CC=CC=C12)C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

Inchi

InChI=1S/C75H44/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-7-23-55(65)57-37-33-45(41-69(57)73)47-35-39-59-60-40-36-48(44-72(60)75(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)75)46-34-38-58-56-24-8-14-30-66(56)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-44H

InChIKey

BFDFHGPJXDFXBA-UHFFFAOYSA-N

Melting Point

457 °C

Purity

>98.0%(HPLC)

Appearance

White to Almost white powder to crystal

storage

Store under inert gas

Complexity

1900

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD12022449

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

9315290

Rotatable Bond Count

Signal Word

Warning

Monoisotopic Mass

944.344301g/mol

Exact Mass

944.344301g/mol