6,9-dichloro-2-methoxyacridine

• ChemBase ID: 82236
• Molecular Formular: C14H9Cl2NO
• Molecular Mass: 278.13336
• Monoisotopic Mass: 277.00611927
• SMILES: n1c2c(c(c3ccc(cc13)Cl)Cl)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)c(Cl)c1c(n2)cc(cc1)Cl
• InChI: InChI=1S/C14H9Cl2NO/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3
• InChIKey: RYRNQWYNHLLOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-dichloro-2-methoxyacridine
• IUPAC Traditional name: 6,9-dichloro-2-methoxyacridine
• Synonyms: 6,9-Dichloroacridin-2-yl methyl ether; 6,9-Dichloro-2-methoxy-10-azaanthracene; 6,9-Dichloro-2-methoxyacridine; 3,9-Dichloro-7-methoxyacridine; 6,9-Dichloro-2-methoxyacridine; 6,9-二氯-2-甲氧基吖啶

Database IDs

• CAS Number: 86-38-4
• EC Number: 201-666-7
• MDL Number: MFCD00005028
• Beilstein Number: 226309
• PubChem SID: 162069355; 24848741
• PubChem CID: 66577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5260043
• LogD (pH = 7.4): 4.5562453
• Log P: 4.556646
• Molar Refractivity: 72.1303 cm^3
• Polarizability: 30.722483 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163-165 °C(lit.); 163-165°C; 163-165°C

Safety Information

• Storage Warning: Harmful/Irritant
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/37/38-42/43
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H319-H334-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C14H9Cl2NO

DETAILS

Sigma Aldrich - 145688

Packaging
25 g in glass bottle