Coumarin 545

Catalog Number

85642-11-1

CAS

85642-11-1

IUPAC Name

5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

Synonyms

10-(2-benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one

Molecular Weight

374.458

Molecular Formula

C22H18N2O2S

Product Information

Purity

>97.0%(HPLC)

Physical State

Solid

Appearance

Gray to Dark purple to Black powder to crystal

Storage

Store under inert gas

Melting Point

254 °C

Safety Information

Signal Word

Warning

Precautionary Statement

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.

Hazard Statements

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

Canonical SMILES

C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1

InChI

InChI=1S/C22H18N2O2S/c25-22-16(21-23-17-7-1-2-8-18(17)27-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)26-22/h1-2,7-8,11-12H,3-6,9-10H2

InChI Key

WYZWJLZUSHFFOR-UHFFFAOYSA-N