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9-Phenyl-9-fluorenol structure
9-Phenyl-9-fluorenol structure

9-Phenyl-9-fluorenol

Iupac Name:9-phenylfluoren-9-ol
CAS No.: 25603-67-2
Molecular Weight:258.31386
Modify Date.: 2022-11-25 07:08
1. Names and Identifiers
1.1 Name
9-Phenyl-9-fluorenol
1.2 Synonyms

9H-Fluoren-9-ol, 9-phenyl- 9H-Fluoren-9-ol,9-phenyl 9-Hydroxy-9-phenyl-fluoren 9-Hydroxy-9-phenylfluorene 9-Phenyl-9-fluorenol, 9-Phenyl-9-hydroxy 9-phenyl-9H-9-fluorenol 9-PHENYL-9H-FLUOREN-9-OL 9-Phenyl-9-hydroxy-9H-fluorene 9-phenyl-fluoren-9-ol 9-Phenylfluoren-9-ol 9-phenyl-fluorene-9-ol 9-phenylfluorenol 9-Phenylfluorenol. MFCD00037121 NSC 25984

1.3 CAS No.
25603-67-2
1.4 CID
141227
1.5 EINECS(EC#)
1308068-626-2
1.6 Molecular Formula
C19H14O (isomer)
1.7 Inchi
InChI=1S/C19H14O/c20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13,20H
1.8 InChkey
UJPHBDAPVWFPTG-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)O
1.10 Isomers Smiles
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)O
2. Properties
3.1 Density
1.242
3.1 Melting point
93-95℃
3.1 Boiling point
436.4 °C at 760 mmHg
3.1 Refractive index
1.692
3.1 Flash Point
436.4 °C at 760 mmHg
3.1 Precise Quality
258.10400
3.1 PSA
20.23000
3.1 logP
3.95120
3.1 Appearance
White Powder
3.2 Chemical Properties
White Powder 9-Phenyl-9-fluorenolSupplier
3.3 pKa
12.52±0.20(Predicted)
3.4 StorageTemp
Sealed in dry,Room Temperature
3. Safety and Handling
4.1 Risk Statements
S24/25
4.1 Safety Statements
24/25
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 Specification

The 9-Phenyl-9-fluorenol, with the CAS registry number 25603-67-2, is also known as 9-Phenyl-9H-fluoren-9-ol. It belongs to the product categories of Aromatics Compounds; Fluorenes; Fluorenes & Fluorenones; Aromatics; Alcohols; C9 to C30; Oxygen Compounds. This chemical's molecular formula is C19H14O and molecular weight is 258.31. Its IUPAC name is called 9-phenylfluoren-9-ol. This chemical is white powder. When you are using this chemical, please be cautious about it. You must svoid contacting it with your skin and eyes.

Physical properties of 9-Phenyl-9-fluorenol: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 487.35; (6)ACD/BCF (pH 7.4): 487.34; (7)ACD/KOC (pH 5.5): 2921.18; (8)ACD/KOC (pH 7.4): 2921.16; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 79.73 cm3; (14)Molar Volume: 207.9 cm3; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.242 g/cm3; (17)Melting Point: 93-95 °C(lit.); (18)Flash Point: 166.7 °C; (19)Enthalpy of Vaporization: 73.03 kJ/mol; (20)Boiling Point: 436.4 °C at 760 mmHg; (21)Vapour Pressure: 2.17E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 9-phenyl-fluorene. This reaction will need reagent dimethyldioxirane and solvent acetone. The reaction time is 3 days with ambient temperature. The yield is about 21%.

Uses of 9-Phenyl-9-fluorenol: it can be used to produce 9-chloro-9-phenyl-fluorene. This reaction will need reagent diethyl ether, SOCl2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)O
(2)InChI: InChI=1S/C19H14O/c20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13,20H
(3)InChIKey: UJPHBDAPVWFPTG-UHFFFAOYSA-N

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

7. Other Information
7.0 Chemical Properties
White Powder
7.1 Uses
9-Phenyl-9-fluorenol (cas# 25603-67-2) is a compound useful in organic synthesis.
7.2 General Description
9-Phenyl-9-fluorenol is a fluorine derivative. It is formed as intermediate during the synthesis of 9-bromo-9-phenylfluorene. Competitive interactions in crystalline 9-phenyl-9-fluorenol has been reported. Spectral properties of 9-phenyl-9-fluorenol have been investigated. 9-Phenyl-9-fluorenol is reported as bichromphoric fluorine derivative and its absorption and emission characteristics have been investigated in non-polar and polar solvents at different temperatures.
8. Computational chemical data
  • Molecular Weight: 258.31386g/mol
  • Molecular Formula: C19H14O
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.9
  • Exact Mass: 258.104465066
  • Monoisotopic Mass: 258.104465066
  • Complexity: 322
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 20.2
  • Heavy Atom Count: 20
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABUAAAGgAACAAADESAmAAwAIAAAgCAAiBCAAACAAAgAAAIiAAACIgIJiKAERCAcAAkwAEImAeAwOAOgAAAAAAQAAAAAAAAACAAAYAADAAAAA==
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