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N-(4'-Iodobiphenyl-4-yl)-N-(m-tolyl)aniline

Catalog Number
ACM195443346-1
CAS Number
195443-34-6
Product Name
N-(4'-Iodobiphenyl-4-yl)-N-(m-tolyl)aniline
Structure
Category
Small Molecule Semiconductor Building Blocks; Electroluminescence Materials
Synonyms
N-(4'-Iodobiphenyl-4-yl)-N-phenyl-N-(m-tolyl)amine
IUPAC Name
N-[4-(4-iodophenyl)phenyl]-3-methyl-N-phenylaniline
Molecular Weight
461.35
Molecular Formula
C25H20IN
Canonical SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)I
InChI
InChI=1S/C25H20IN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3
InChI Key
AKQZSFMSAULQQN-UHFFFAOYSA-N
Melting Point
160 °C
Purity
>98.0%(HPLC)
Appearance
White to Light yellow to Green powder to crystal
Complexity
430
Covalently-Bonded Unit Count
1
Exact Mass
461.06405g/mol
Formal Charge
0
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.
Heavy Atom Count
27
MDL Number
MFCD00671551
Monoisotopic Mass
461.06405g/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.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
Rotatable Bond Count
4
Signal Word
Warning
XLogP3
7.8
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