6-chloro-2-methoxy-9-phenoxyacridine

• ChemBase ID: 140837
• Molecular Formular: C20H14ClNO2
• Molecular Mass: 335.78366
• Monoisotopic Mass: 335.07130637
• SMILES: COc1ccc2c(c1)c(c1ccc(cc1n2)Cl)Oc1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(Oc1ccccc1)c1c(n2)cc(cc1)Cl
• InChI: InChI=1S/C20H14ClNO2/c1-23-15-8-10-18-17(12-15)20(24-14-5-3-2-4-6-14)16-9-7-13(21)11-19(16)22-18/h2-12H,1H3
• InChIKey: CKWITQOQGJPKOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methoxy-9-phenoxyacridine
• IUPAC Traditional name: 6-chloro-2-methoxy-9-phenoxyacridine
• Synonyms: 6-Chloro-2-methoxy-9-phenoxyacridine; 6-氯-2-甲氧基-9-苯氧基吖啶

Database IDs

• CAS Number: 7478-26-4
• MDL Number: MFCD11656157
• PubChem SID: 162235075
• PubChem CID: 345321

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.811643
• LogD (pH = 7.4): 5.4335084
• Log P: 5.452888
• Molar Refractivity: 93.5663 cm^3
• Polarizability: 39.22898 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 153-156 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H317-H319-H413
• GHS Precautionary statements: P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97.5-102.5% (T); 98%
• Empirical Formula (Hill Notation): C20H14ClNO2

DETAILS

Sigma Aldrich - 672548

Packaging
1, 5 g in glass bottle