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4-Iodo-4',4''-dimethoxytriphenylamine

Catalog Number
ACM201802155
CAS Number
201802-15-5
Product Name
4-Iodo-4',4''-dimethoxytriphenylamine
Structure
Category
Small Molecule Semiconductor Building Blocks; Electroluminescence Materials; Semiconductor Blocks
Synonyms
4-Iodo-N,N-bis(4-methoxyphenyl)aniline
IUPAC Name
N-(4-iodophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline
Molecular Weight
431.27
Molecular Formula
C20H18INO2
Canonical SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)I
InChI
InChI=1S/C20H18INO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3
InChI Key
VGQDQJMYUYSINZ-UHFFFAOYSA-N
Melting Point
111 °C
Purity
>98.0%(HPLC)(N)
Appearance
White to Light yellow to Light orange powder to crystal
Complexity
333
Covalently-Bonded Unit Count
1
Exact Mass
431.03823g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
24
Monoisotopic Mass
431.03823g/mol
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.
Rotatable Bond Count
5
Signal Word
Warning
XLogP3
5.8
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