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4-Chloro-2,6-diphenylpyrimidine

Catalog Number
ACM29509919
Product Name
4-Chloro-2,6-diphenylpyrimidine
Structure
CAS
29509-91-9
Category
Small Molecule Semiconductor Building Blocks
Synonyms
4-CHLORO-2,6-DIPHENYLPYRIMIDINE;6-CHLORO-2,4-DIPHENYLPYRIMIDINE;Pyrimidine, 4-chloro-2,6-diphenyl-
IUPAC Name
4-chloro-2,6-diphenylpyrimidine
Molecular Weight
266.73
Molecular Formula
C16H11ClN2
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C16H11ClN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
InChI Key
MJDDVTZXYXHTRY-UHFFFAOYSA-N
Boiling Point
339.2 °C / 760 mmHg
Melting Point
106 °C
Purity
>98.0%(GC)
Density
1.221
Solubility
<0.3 [ug/mL]
Appearance
White to Almost white powder to crystal
Storage
Keep in dark place. Sealed in dry. Room temperature.
Complexity
272
Covalently-Bonded Unit Count
1
Exact Mass
266.061076g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
19
MDL Number
MFCD00234890
Monoisotopic Mass
266.061076g/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
2
Signal Word
Warning
XLogP3
4.5
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