9H-fluorene-2,7-bis(aminium) dichloride

• ChemBase ID: 302249
• Molecular Formular: C13H12Cl2N2
• Molecular Mass: 267.15378
• Monoisotopic Mass: 266.03775375
• SMILES: c1cc2c(cc1[NH2+])Cc1c2ccc(c1)[NH2+].[Cl-].[Cl-]
• Canonical SMILES: [NH2+]c1ccc2c(c1)Cc1c2ccc(c1)[NH2+].[Cl-].[Cl-]
• InChI: InChI=1S/C13H12N2.2ClH/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;;/h1-4,6-7H,5,14-15H2;2*1H
• InChIKey: QJXYCUYLZDQRIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-2,7-bis(aminium) dichloride
• IUPAC Traditional name: 9H-fluorene-2,7-bis(aminium) dichloride
• Synonyms: 2,7-Fluorenyldiamine hydrochloride; 2,7-Diaminofluorene dihydrochloride; 2,7-二氨基芴二盐酸盐

Database IDs

• CAS Number: 13548-69-1
• EC Number: 236-924-8
• MDL Number: MFCD00012535
• Merck Index: 144156

CALCULATED PROPERTIES

• Acid pKa: 17.93204
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 2.0111983
• LogD (pH = 7.4): 2.0802262
• Log P: 2.0811675
• Molar Refractivity: 84.7358 cm^3
• Polarizability: 25.289034 Å^3
• Polar Surface Area: 55.28 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >360°C

Safety Information

• Storage Warning: Light Sensitive
• RTECS: LL7050000
• European Hazard Symbols: X
• Risk Statements: 22-40-68
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H341-H351-H302
• GHS Precautionary statements: P280H

Product Information

• Purity: 97%