4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene (purified by sublimation)

Catalog Number

ACM2397004-1

CAS

2397-00-4

IUPAC Name

5-methyl-2-[4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

Molecular Weight

442.52

Molecular Formula

C30H22N2O2

Product Information

Canonical SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=C(O5)C=CC(=C6)C

Inchi

InChI=1S/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3/b6-5+

InChIKey

OKEZAUMKBWTTCR-AATRIKPKSA-N

Melting Point

282 °C

Purity

>98.0%(N)

Appearance

Light yellow to Amber to Dark green powder to crystal

storage

Store under inert gas

Complexity

638

Condition To Avoid

Air Sensitive

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD00191316

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

588419

Rotatable Bond Count

Signal Word

Warning

Monoisotopic Mass

442.168128g/mol

Exact Mass

442.168128g/mol