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90-47-1

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Basic Information
CAS No.: 90-47-1
Name: Xanthone
Article Data: 312
Cas Database
Molecular Structure:
Molecular Structure of 90-47-1 (Xanthone)
Formula: C13H8O2
Molecular Weight: 196.205
Synonyms: Xanthen-9-one(8CI);9-Oxoxanthene;9-Xanthone;9H-Xanthene, 9-oxo-;Benzophenone oxide;Dibenzo-g-pyrone;Diphenylene ketoneoxide;Genicide;Xanthenone;Xanthones;
EINECS: 201-997-7
Density: 1.277 g/cm3
Melting Point: 174-176 °C
Boiling Point: 350 °C at 760 mmHg
Flash Point: 169.8 °C
Solubility: It is Soluble in water (partly), chloroform, hot Toluene, ether (slightly), and hot alcohol.
Appearance: off-white powder
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 22
Safety: 24/25
Transport Information: UN 2811 6.1/PG 3
PSA: 30.21000
LogP: 2.94620
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Chemistry

Molecular Structure of Xanthone (CAS NO.90-47-1):

IUPAC: Xanthen-9-one  
CAS:90-47-1
Molecular formula: C13H8O2
Molecular Weight: 196.2
EINECS: 213-994-8
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.642
Molar Refractivity: 55.53 cm3
Molar Volume: 153.6 cm3
Surface Tension: 50.7 dyne/cm
Flash Point: 169.8 °C
Enthalpy of Vaporization: 59.45 kJ/mol
Boiling Point: 350 °C at 760 mmHg
Vapour Pressure: 4.53E-05 mmHg at 25°C
Melting Point: 174-176oC
Density: 1.277 g/cm3
Stability: Stable.Incompatible with strong oxidizing agents.
Product Categories: Drug bulk
InChI
InChI=1/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
Smiles
c12c(c(c3ccccc3o1)=O)cccc2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01611,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 25, 1953.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Safty informations about Xanthone (CAS NO.90-47-1):
Hazard Codes: IrritantXi, HarmfulXn
Risk Statements: 22 
22(Harmful if swallowed)
Safety Statements: 24/25
24/25(Toxic in contact with skin and if swallowed)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: ZD 5711000

Specification

  Xanthone , with CAS number of 90-47-1, can be called 9-Oxoxanthene ; 9-Xanthenone ; 9-Xanthone ; 9H-Xanthene, 9-oxo- ; Benzophenone oxide ; Dibenzo-gamma-pyrone ; Diphenylene ketone oxide ; Xanthene, 9-oxo- ; Xanthenone . Xanthone (CAS NO.90-47-1) is used in the prepn of Xanthydrol with the appearance of off-white powder.