CAS 84-11-7 9,10-Phenanthrenequinone - Materials / Alfa Chemistry

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Ligands for Functional Metal Complexes

9,10-Phenanthrenequinone

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Catalog Number

ACM84117-1

Product Name

9,10-Phenanthrenequinone

Structure

CAS

84-11-7

Category

Ligands for Functional Metal Complexes

Synonyms

9,10-Phenanthrenedione

IUPAC Name

phenanthrene-9,10-dione

Molecular Weight

208.21

Molecular Formula

C14H8O2

Canonical SMILES

O=C1C(=O)C2=C(C=CC=C2)C2=CC=CC=C12

InChI

InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

InChI Key

YYVYAPXYZVYDHN-UHFFFAOYSA-N

Boiling Point

360.0±0.0 °C at 760 mmHg

Melting Point

209-212 °C(lit.)

Flash Point

163.1±4.4 °C

Purity

98%

Density

1.3±0.1 g/cm3

Solubility

3.60e-05 M;Solubility in water: 0.4 mg/mL;Solubility in ethanol: 1 mg/mL; solubility in ethylene glycol methyl ether: 7 mg/mL;Soluble in benzene, ether, glacial acetic acid, hot alcohol;Soluble in sulfuric acid

Appearance

Powder

Storage

room temp

Color/Form

Orange-red crystals;Orange needles, orange-red plates

Complexity

289

Covalently-Bonded Unit Count

EC Number

201-515-5

Exact Mass

208.052429g/mol

Formal Charge

Heavy Atom Count

Impurities

<0.1% anthraquinone

Log P

2.52 (LogP);log Kow = 2.52

MDL Number

MFCD00001163

MeSH Entry Terms

9,10-phenanthraquinone;9,10-phenanthrenedione;9,10-phenanthrenequinone;9,10-phenanthroquinone

Monoisotopic Mass

208.052429g/mol

NSC Number

10446;7389

Other Experimental

Sublimes above 360 °C;With concentrated sulfuric acid gives a dark green color;Cyclohexane/water partition coefficient: 1.39 (log);MASS: 170 (Aldermaston, Eight Peak Index of Mass Spectra, UK) /1,4-Phenanthraquinone/;Henry's Law constant = 2.7X10-9 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 6.2X10-12 cu cm/molecule-sec at 25 °C (est)

Packaging

5, 25 g in glass bottle

Refractive Index

1.659

Rotatable Bond Count

UNII

42L7BZ8H74

Vapor Pressure

8.5X10-7 mm Hg at 25 °C (est)

XLogP3

2.5

MSDS