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4-Ethynyltriphenylamine

Catalog Number
ACM205877265-1
Product Name
4-Ethynyltriphenylamine
Structure
CAS
205877-26-5
Category
Small Molecule Semiconductor Building Blocks
Synonyms
4-Diphenylaminophenylacetylene
IUPAC Name
4-ethynyl-N,N-diphenylaniline
Molecular Weight
269.35000000000002
Molecular Formula
C20H15N
Canonical SMILES
C#CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H15N/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1,3-16H
InChI Key
QDYFCLVSLUZDHB-UHFFFAOYSA-N
Melting Point
111 °C
Purity
>98.0%(HPLC)(N)
Appearance
Light orange to Yellow to Green powder to crystal
Complexity
327
Covalently-Bonded Unit Count
1
Exact Mass
269.120449g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
21
MDL Number
MFCD09030769
Monoisotopic Mass
269.120449g/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
4
Signal Word
Warning
XLogP3
6
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