4,4'-Dibromotriphenylamine
Catalog Number
ACM81090531-4
CAS
81090-53-1
IUPAC Name
4-Bromo-N-(4-bromophenyl)-N-phenylaniline
Synonyms
4,4'-(Phenylimino)bis(1-bromobenzene)
Application
Polytriarylamine Semiconductors
Hole transport material and building block for hole transport materials.
Hole transport material and building block for hole transport materials.
Molecular Weight
403.1
Molecular Formula
C18H13Br2N
Product Information
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChI Key
KIGVOJUDEQXKII-UHFFFAOYSA-N
Boiling Point
470.7±30.0 °C/760mmHg (lit.)
Melting Point
69 °C
Flash Point
110 °C
Purity
95%+
Density
1.6±0.1 g/cm³
Appearance
Off-white solid
Storage
Inert atmosphere,Room Temperature
Complexity
278
Covalently-Bonded Unit Count
1
Exact Mass
402.93943
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
21
MDL Number
MFCD00060104
Monoisotopic Mass
400.94147
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
7094354
Refractive Index
n20/D 1.679 (lit.)
Rotatable Bond Count
3
Signal Word
Warning
Topological Polar Surface Area
3.2 Ų
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