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4,4',4''-(1,3,5-Triazine-2,4,6-triyl)trianiline

Catalog Number
ACM14544479-3
Product Name
4,4',4''-(1,3,5-Triazine-2,4,6-triyl)trianiline
Structure
CAS
14544-47-9
Category
Small Molecule Semiconductor Building Blocks
Synonyms
4-[4,6-Bis(4-aminophenyl)-1,3,5-triazin-2-yl]aniline;
IUPAC Name
4-[4,6-bis(4-aminophenyl)-1,3,5-triazin-2-yl]phenylamine
Molecular Weight
354.41
Molecular Formula
C21H18N6
Canonical SMILES
C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N
InChI
1S/C21H18N6/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H,22-24H2
InChI Key
WHSQATVVMVBGNS-UHFFFAOYSA-N
Boiling Point
380-382 at 760 mmHg
Melting Point
250 °C-lit.
Purity
0.95
Density
1.303±0.06 g/cm3(Predicted)
Appearance
solid
Storage
Keep in dark place,Sealed in dry,Room Temperature
Complexity
371
Covalently-Bonded Unit Count
1
Exact Mass
354.159295g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
27
MDL Number
MFCD04116311
MeSH Entry Terms
2,4,6-tris(4-aminophenyl)-1,3,5-triazine
Monoisotopic Mass
354.159295g/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
3
Signal Word
Warning
XLogP3
2.9
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