3,3'-Di(dibenzothiophen-4-yl)-1,1'-biphenyl

Catalog Number

ACM1128045146-1

CAS

1128045-14-6

IUPAC Name

4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene

Synonyms

4,4'-[1,1'-Biphenyl]-3,3'-diyldi(dibenzothiophene)

Molecular Weight

518.69

Molecular Formula

C36H22S2

Product Information

Canonical SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)C6=CC=CC7=C6SC8=CC=CC=C78

Inchi

InChI=1S/C36H22S2/c1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32/h1-22H

InChIKey

WWFVLYDIXQKUCM-UHFFFAOYSA-N

Boiling Point

191 °C

Melting Point

191 °C

Purity

95%+

Appearance

White to Almost white powder to crystal

storage

Store under inert gas

Complexity

743

Condition To Avoid

Light Sensitive

Hazard Statements

H315 : Causes skin irritation.H318 : Causes serious eye damage.

Heavy Atom Count

MDL Number

MFCD28138084

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.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.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.

Reaxys Registry Number

30595257

Rotatable Bond Count

Signal Word

Danger

Monoisotopic Mass

518.116293g/mol

Exact Mass

518.116293g/mol