9H-fluorene-2,7-diamine

• ChemBase ID: 56080
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: c1(ccc2c(c1)Cc1c2ccc(c1)N)N
• Canonical SMILES: Nc1ccc2c(c1)Cc1c2ccc(c1)N
• InChI: InChI=1S/C13H12N2/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
• InChIKey: SNCJAJRILVFXAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-2,7-diamine
• IUPAC Traditional name: 2,7-diamino-fluoren
• Synonyms: 9H-Fluorene-2,7-diamine; 2,7-Diaminofluorene; 2,7-Fluorenediamine; 2,7-DIAMINOFLUORENE; 2,7-芴二胺; 2,7-二氨基芴

Database IDs

• CAS Number: 525-64-4; 13548-69-1
• EC Number: 208-377-5
• MDL Number: MFCD00001128
• Beilstein Number: 2099859
• Merck Index: 144156
• PubChem SID: 162060843; 24893519; 24859814
• PubChem CID: 10679

CALCULATED PROPERTIES

• Acid pKa: 17.93204
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0111983
• LogD (pH = 7.4): 2.0802262
• Log P: 2.0811675
• Molar Refractivity: 64.2742 cm^3
• Polarizability: 24.681295 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-162 °C(lit.); 160-162°C; 160-163 °C

Safety Information

• Storage Condition: 2-8°C, Protect from light
• Storage Warning: IRRITANT
• RTECS: LL6980000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >97%; ≥97.0% (UV); 97+%
• Grade: purum
• Empirical Formula (Hill Notation): C13H12N2

DETAILS

MP Biomedicals - 02150833

Crystalline

MP Biomedicals - 05205929

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D17106

Application
Analytical reagent for metals.
Packaging
1 g in glass bottle

Sigma Aldrich - 32980

Other Notes
Used as substitute for the carcinogenic benzidine in the chromogenic assay of peroxidases1