Basic information
- Name:
9H-Xanthene-4-aceticacid, 5,6-dimethyl-9-oxo-
- Superlist Name:
- 5,6-Dimethylxantheonone-4-acetic acid
- CAS No.:
117570-53-3
- Molecular Structure:

- Formula:
- C17H14O4
- Molecular Weight:
- 282.29
- Synonyms:
- 5,6-Dimethyl-9-oxo-9H-xanthen-4-ylaceticacid;AS 1404;ASA 404;DMXAA;NSC 640488;Vadimezan;
- Density:
- 1.321 g/cm3
- Boiling Point:
- 520.9 °C at 760 mmHg
- Flash Point:
- 197.1 °C
- Hazard Symbols:
Xn,
N- Risk Codes:
- 22-50/53
- Safety Description:
- 60-61 Details
- Transport Information:
- UN 3077 9/PG 3
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Chemistry
The Molecular Structure of 5,6-Dimethylxantheonone-4-acetic acid (CAS NO.117570-53-3) is
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Cas Register Number: 117570-53-3
IUPAC Name: 2-(5,6-Dimethyl-9-oxoxanthen-4-yl)acetic acid
Synonyms: 5,6-Dimethyl xanthenone acetic acid ; 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid ; 5,6-Dimethylxanthenone-4-acetic acid ; 5,6-MeXAA ; Dimethyloxoxanthene acetic acid ; Vadimezan ; 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo- ; 5,6-Dimethylxanthenoneacetic acid
Molecular Formula: C17H14O4
Molecular Weight: 282.290660 g/mol
Classification Code: Antineoplastic Agents
H bond acceptors: 4
H bond donors: 1
#Freely Rotating Bonds: 2
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.633
Molar Refractivity: 76.29 cm3
Molar Volume: 213.6 cm3
Surface Tension: 57 dyne/cm
Density: 1.321 g/cm3
Flash Point: 197.1 °C
Enthalpy of Vaporization: 83.59 kJ/mol
Boiling Point: 520.9 °C at 760 mmHg
Vapour Pressure of 5,6-Dimethylxantheonone-4-acetic acid (CAS NO.117570-53-3): 1.12E-11 mmHg at 25°C
Safety Profile
Hazard Codes:
Xn,
N
Risk Statements: 22-50/53
R22:Harmful if swallowed.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: ZD5536200

