CAS 1033035-83-4 2,7-Bis[N-(m-tolyl)anilino]-9,9'-spirobi[9H-fluorene]

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Organic Light-Emitting Diode (OLED) Materials

2,7-Bis[N-(m-tolyl)anilino]-9,9'-spirobi[9H-fluorene]

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Catalog Number

ACM1033035834-2

Product Name

2,7-Bis[N-(m-tolyl)anilino]-9,9'-spirobi[9H-fluorene]

Structure

CAS

1033035-83-4

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

2,7-Bis[phenyl(m-tolyl)amino]-9,9'-spirobi[9H-fluorene]

IUPAC Name

2-N',7-N'-bis(3-methylphenyl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine

Molecular Weight

678.88

Molecular Formula

C51H38N2

Canonical SMILES

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)N(C9=CC=CC=C9)C1=CC=CC(=C1)C

InChI

InChI=1S/C51H38N2/c1-35-15-13-21-39(31-35)52(37-17-5-3-6-18-37)41-27-29-45-46-30-28-42(53(38-19-7-4-8-20-38)40-22-14-16-36(2)32-40)34-50(46)51(49(45)33-41)47-25-11-9-23-43(47)44-24-10-12-26-48(44)51/h3-34H,1-2H3

InChI Key

QZTQQBIGSZWRGI-UHFFFAOYSA-N

Melting Point

213 °C

Purity

>98.0%(HPLC)(N)

Appearance

White to Yellow to Green powder to crystal

Storage

Store under inert gas

Complexity

1110

Covalently-Bonded Unit Count

Exact Mass

678.303499g/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

MFCD11112143

Monoisotopic Mass

678.303499g/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

13.6

MSDS

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COA

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Spec Sheet

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