661732

1,3,5-Tris(2-(9-ethylcabazyl-3)ethylene)benzene

• Synonym(s): 1,3,5-Tris(2-(9-ethylcabazol-3-yl)ethylene)benzene, TECEB
• Empirical Formula (Hill Notation): C₅₄H₄₅N₃
• CAS Number: 848311-04-6
• Molecular Weight: 735.96
• MDL number: MFCD08276818
• UNSPSC Code: 12352103
• PubChem Substance ID: 24884542
• NACRES: NA.23

Properties

• form: solid
• fluorescence: λ_ex 337 nm; λ_em 416 nm in chloroform
• orbital energy: HOMO 5.2 eV ; LUMO 2.8 eV
• storage temp.: 2-8°C
• SMILES string: CCn1c2ccccc2c3cc(\C=C\c4cc(\C=C\c5ccc6n(CC)c7ccccc7c6c5)cc(\C=C\c8ccc9n(CC)c%10ccccc%10c9c8)c4)ccc13
• InChI: 1S/C54H45N3/c1-4-55-49-16-10-7-13-43(49)46-34-37(25-28-52(46)55)19-22-40-31-41(23-20-38-26-29-53-47(35-38)44-14-8-11-17-50(44)56(53)5-2)33-42(32-40)24-21-39-27-30-54-48(36-39)45-15-9-12-18-51(45)57(54)6-3/h7-36H,4-6H2,1-3H3/b22-19+,23-20+,24-21+
• InChI key: JWTJCIYHZFCEPU-IKVQWSBMSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves