9-chloroacridine

• ChemBase ID: 146421
• Molecular Formular: C13H8ClN
• Molecular Mass: 213.66232
• Monoisotopic Mass: 213.03452694
• SMILES: c1ccc2c(c1)c(c1ccccc1n2)Cl
• Canonical SMILES: Clc1c2ccccc2nc2c1cccc2
• InChI: InChI=1S/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
• InChIKey: BPXINCHFOLVVSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloroacridine
• IUPAC Traditional name: acridine, 9-chloro-
• Synonyms: 9-chloroacridine; 9-Chloroacridine; 9-氯吖啶

Database IDs

• CAS Number: 1207-69-8
• EC Number: 214-895-2
• MDL Number: MFCD00022266
• PubChem SID: 24849815; 162240617
• PubChem CID: 71013

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.946067
• LogD (pH = 7.4): 4.1077437
• Log P: 4.1102724
• Molar Refractivity: 60.8623 cm^3
• Polarizability: 26.467958 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116-120 °C(lit.)
• Hydrophobicity(logP): 4.21

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C13H8ClN

DETAILS

Sigma Aldrich - 159425

Packaging
1, 5 g in glass bottle