Coronene

• CAS: 191-07-1
• Catalog Number: ACM191071-3
• Category: Organic & Printed Electronics
• Molecular Weight: 300.4
• Molecular Formula: C24H12
• Synonyms: Hexabenzobenzene
• IUPAC Name: Coronene
• Canonical SMILES: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
• InChI: InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
• InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N
• Boiling Point: 428 °C
• Melting Point: 525 °C
• Density: 1.39 g/ml
• Solubility: 4.66e-10 M
• Appearance: Yellow to greenish crystalline powder
• Application: An n-channel organic semiconductor.
• Storage: Store under inert gas
• Assay: 0.99
• Complexity: 376
• Condition To Avoid: Moisture Sensitive
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 205-881-7
• Exact Mass: 300.0939
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 7.64 (LogP)
• MDL Number: MFCD00004134
• Monoisotopic Mass: 300.0939
• NSC Number: 90725
• Packaging: 100, 500 mg in glass insert
• 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.
• Quality Level: 100
• Rotatable Bond Count: 0
• Signal Word: Warning
• Topological Polar Surface Area: 0 Ų
• UNII: 7YY0X5XT1W
• Vapor Pressure: 2.17e-12 mmHg
• XLogP3: 7.2
• XLogP3-AA: 7.2