4-Chloro-2,6-diphenylpyrimidine

• CAS: 29509-91-9
• Catalog Number: ACM29509919
• Category: Other Products
• Molecular Weight: 266.73
• Molecular Formula: C16H11ClN2
• Synonyms: 4-CHLORO-2,6-DIPHENYLPYRIMIDINE;6-CHLORO-2,4-DIPHENYLPYRIMIDINE;Pyrimidine, 4-chloro-2,6-diphenyl-
• IUPAC Name: 4-chloro-2,6-diphenylpyrimidine
• 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
• 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.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• 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