ChemicalBook--->CAS DataBase List--->90-47-1

90-47-1

90-47-1 Structure

90-47-1 Structure
IdentificationMore
[Name]

Xanthone
[CAS]

90-47-1
[Synonyms]

9-OXOXANTHENE
9-XANTHENONE
BENZOPHENONE OXIDE
XANTHEN-9-ONE
XANTHONE
9H-Xanthen-9-one
9H-Xanthene, 9-oxo-
9-Xanthone
Dibenzo-gamma-pyrone
dibenzopyranone
Dibenzo-pyrone
Dibenzpyrone
Diphenylene ketone oxide
diphenyleneketoneoxide
E 6
Genicide
Xanthene, 9-Oxo-
Xanthenone
9-xanthenore
Xanthone, 99% (9-Xanthenone)
[EINECS(EC#)]

201-997-7
[Molecular Formula]

C13H8O2
[MDL Number]

MFCD00005060
[Molecular Weight]

196.2
[MOL File]

90-47-1.mol
Chemical PropertiesBack Directory
[Appearance]

off-white powder
[Melting point ]

172-174 °C(lit.)
[Boiling point ]

349-350 °C730 mm Hg(lit.)
[density ]

1.1607 (rough estimate)
[refractive index ]

1.6000 (estimate)
[Fp ]

350-351°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Heated)
[form ]

neat
[color ]

White to Light Purple
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Water Solubility ]

It is Soluble in water (partly), chloroform, hot Toluene, ether (slightly), and hot alcohol.
[Merck ]

14,10062
[BRN ]

140443
[InChI]

1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
[InChIKey]

JNELGWHKGNBSMD-UHFFFAOYSA-N
[SMILES]

O=C1c2ccccc2Oc3ccccc13
[CAS DataBase Reference]

90-47-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Xanthone(90-47-1)
[EPA Substance Registry System]

90-47-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319
[Precautionary statements ]

P301+P310-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

ZD5711000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenyl salicylate-->Phenol-->Diphenyl carbonate
[Preparation Products]

4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene-->9,9-DIMETHYL-9H-XANTHENE-->2-[(diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate-->XANTHENE-9-CARBONITRILE-->9-Hydroxyxanthene-->Phthalic anhydride-->9,9'-Spirobi[9H-xanthene]-->Xanthene-->XANTHENE-9-CARBOXYLIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

9-Xanthenone(90-47-1).msds
Hazard InformationBack Directory
[Description]

Xanthone is a compound that has been shown to have a significant cytotoxicity against HL-60 cells and to inhibit the cyclase enzyme. It also inhibits the protein production of mcl-1, which is necessary for the development of cancer cells.
[Chemical Properties]

off-white powder
[Uses]

Acts as an inhibitor of human cancer cell lines.
[Application]

Xanthone has antiinflammatory activity and can be used in treating infectious diseases such as tuberculosis, malaria, and leprosy. The biological properties of it are shown by its ability to scavenge anion radicals and to act as a fluorescence probe for coumarin derivatives.
[Definition]

A colorless crystalline organic compound found as a pigment in gentians and other flowers. It is used as an insecticide and in making dyestuffs.
[Definition]

ChEBI: The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 37, p. 4204, 1972 DOI: 10.1021/jo00798a059
[storage]

Store at -20°C
[Purification Methods]

It has also been recrystallised from n-hexane three times and sublimed in vacuo. [Saltiel J Am Chem Soc 108 2674 1986]. [Beilstein 17 H 354, 17 I 190, 17 II 378, 17 III/IV 5292, 17/10 V 430.]
Spectrum DetailBack Directory
[Spectrum Detail]

Xanthone(90-47-1)MS
Xanthone(90-47-1)1HNMR
Xanthone(90-47-1)13CNMR
Xanthone(90-47-1)IR1
Xanthone(90-47-1)IR2
Xanthone(90-47-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Xanthone, 99%(90-47-1)
[Alfa Aesar]

Xanthone, 99%(90-47-1)
[Sigma Aldrich]

90-47-1(sigmaaldrich)
[TCI AMERICA]

Xanthone,>98.0%(GC)(90-47-1)
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