2,7-dichloro-9H-fluorene

• ChemBase ID: 73982
• Molecular Formular: C13H8Cl2
• Molecular Mass: 235.10862
• Monoisotopic Mass: 234.00030562
• SMILES: Clc1cc2c(cc1)c1c(cc(cc1)Cl)C2
• Canonical SMILES: Clc1ccc2c(c1)Cc1c2ccc(c1)Cl
• InChI: InChI=1S/C13H8Cl2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
• InChIKey: SDPURBHAHVFTGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dichloro-9H-fluorene
• IUPAC Traditional name: 2,7-dichloro-9H-fluorene
• Synonyms: 2,7-Dichloro-9H-fluorene; NSC 73077; 2,7-Dichlorofluorene; 2,7-Dichlorofluorene; 2,7-Dichloro-9H-fluorene; 2,7-二氯芴

Database IDs

• CAS Number: 7012-16-0
• MDL Number: MFCD00032840
• PubChem SID: 162038901
• PubChem CID: 251987

CALCULATED PROPERTIES

• Acid pKa: 16.734924
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9471087
• LogD (pH = 7.4): 4.9471087
• Log P: 4.9471087
• Molar Refractivity: 64.483 cm^3
• Polarizability: 26.036564 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Off-White Solid
• Melting Point: >300°C dec.; 116-118°C; 126-128°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - D434465

Intermediate in the production of Lumefantrine.

REFERENCES

• Washburn, L., et al.: J. Med. Chem., 17, 676 (1974)
• Nakamura, H., et al.: Environ. Sci. Technol., 41, 2190 (1974)