9-(phenylmethylidene)-9H-fluorene

• ChemBase ID: 106738
• Molecular Formular: C20H14
• Molecular Mass: 254.32516
• Monoisotopic Mass: 254.10955045
• SMILES: c1ccc(cc1)/C=C\1/c2ccccc2c2ccccc12
• Canonical SMILES: c1ccc(cc1)/C=C/1\c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H14/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-14H
• InChIKey: RMQMLYMBZGDKBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(phenylmethylidene)-9H-fluorene
• IUPAC Traditional name: 9-(phenylmethylidene)fluorene
• Synonyms: 9-BENZYLIDENEFLUORENE; 9-Benzylidene-9H-fluorene; 9-Benzylidenefluorene; 9-亚苄基-9H-芴; 9-苄亚甲基芴

Database IDs

• CAS Number: 1836-87-9
• MDL Number: MFCD00019092
• PubChem SID: 24880513; 162087318
• PubChem CID: 137231

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.420265
• LogD (pH = 7.4): 5.420265
• Log P: 5.420265
• Molar Refractivity: 94.1437 cm^3
• Polarizability: 34.038006 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 74-77 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C20H14

DETAILS

Sigma Aldrich - 569623

Caution
Refrigerate
Packaging
5 g in glass bottle