CAS 249609-49-2 4,4'-Bis[di(3,5-xylyl)amino]-4''-phenyltriphenylamine

NAVIGATION

4,4'-Bis[di(3,5-xylyl)amino]-4''-phenyltriphenylamine

PRICE INQUIRY

Catalog Number

ACM249609492

CAS Number

249609-49-2

Product Name

4,4'-Bis[di(3,5-xylyl)amino]-4''-phenyltriphenylamine

Structure

Category

Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials

Synonyms

N-(4-Biphenylyl)-N,N-bis[4-[di(3,5-xylyl)amino]phenyl]amine

IUPAC Name

4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine

Molecular Weight

768.06

Molecular Formula

C56H53N3

Canonical SMILES

CC1=CC(=CC(=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)N(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

InChI

InChI=1S/C56H53N3/c1-38-26-39(2)31-53(30-38)58(54-32-40(3)27-41(4)33-54)51-22-18-49(19-23-51)57(48-16-14-47(15-17-48)46-12-10-9-11-13-46)50-20-24-52(25-21-50)59(55-34-42(5)28-43(6)35-55)56-36-44(7)29-45(8)37-56/h9-37H,1-8H3

InChI Key

XPHQVAAGYDLYOC-UHFFFAOYSA-N

Boiling Point

267 °C

Melting Point

267 °C

Purity

95%+

Appearance

Light yellow toyellow to green powder to crystal

Application

4,4'-Bis[di(3,5-xylyl)amino]-4''-phenyltriphenylamine serves as a valuable chemical due to its unique cathodoluminescence properties, which enable it to stain biological specimens and facilitate the acquisition of CL images. Additionally, its electroluminescent capabilities have made it an important component in the development of organic electroluminescent devices.

Storage

Store under inert gas

Complexity

1070

Covalently-Bonded Unit Count

Exact Mass

767.423949g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD03844780

Monoisotopic Mass

767.423949g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ 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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

16.2

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