3-Methylflavone-8-carboxylic acid
Synonym(s):3-Methylflavone-8-carboxylic acid
- CAS NO.：3468-01-7
- Empirical Formula: C17H12O4
- Molecular Weight: 280.27
- MDL number: MFCD00040998
- EINECS: 222-425-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-01 17:24:36
What is 3-Methylflavone-8-carboxylic acid?
Chemical properties
White Crystalline Solid
The Uses of 3-Methylflavone-8-carboxylic acid
The main active metabolite of Flavoxate hydrochloride (FX) in human.
What are the applications of Application
3-Methylflavone-8-carboxylic Acid is A major active metabolite of Flavoxate hydrochloride
Definition
ChEBI: A member of the class of flavones that is flavone substituted at position 3 by a methyl group and at position 8 by a carboxylic acid group.
Properties of 3-Methylflavone-8-carboxylic acid
| Melting point: | 234-236°C |
| Boiling point: | 485.1±45.0 °C(Predicted) |
| Density | 1.335±0.06 g/cm3(Predicted) |
| storage temp. | Store below +30°C. |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 2.85±0.40(Predicted) |
| color | White |
| BRN | 1433509 |
| InChI | InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20) |
| CAS DataBase Reference | 3468-01-7(CAS DataBase Reference) |
Safety information for 3-Methylflavone-8-carboxylic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Methylflavone-8-carboxylic acid
| InChIKey | KMMBBZOSQNLLMN-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2)OC2=C(C(O)=O)C=CC=C2C(=O)C=1C |
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