9H-fluorene-2-carbaldehyde

• ChemBase ID: 147494
• Molecular Formular: C14H10O
• Molecular Mass: 194.2286
• Monoisotopic Mass: 194.07316494
• SMILES: c1ccc2c(c1)Cc1c2ccc(c1)C=O
• Canonical SMILES: O=Cc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2
• InChIKey: MNQGEQSXFDKAPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-2-carbaldehyde
• IUPAC Traditional name: 9H-fluorene-2-carbaldehyde
• Synonyms: Fluorene-2-carboxaldehyde; 芴-2-甲醛

Database IDs

• CAS Number: 30084-90-3
• EC Number: 250-035-2
• MDL Number: MFCD00001123
• Beilstein Number: 2255852
• PubChem SID: 162241682; 24848841
• PubChem CID: 34804

CALCULATED PROPERTIES

• Acid pKa: 16.903297
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4515216
• LogD (pH = 7.4): 3.4515216
• Log P: 3.4515216
• Molar Refractivity: 61.4574 cm^3
• Polarizability: 24.308918 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-86°C; 83-85 °C; 83-85 °C(lit.)

Safety Information

• Storage Warning: Air & Light Sensitive
• RTECS: LL5917000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C14H10O

DETAILS

Sigma Aldrich - 150142

Packaging
5 g in glass bottle