ChemicalBook--->CAS DataBase List--->3468-01-7

3468-01-7

3468-01-7 Structure

3468-01-7 Structure
IdentificationMore
[Name]

3-Methylflavone-8-carboxylic acid
[CAS]

3468-01-7
[Synonyms]

3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid
3-METHYL-4-OXO-2-PHENYL-4H-CHROMENE-8-CARBOXYLIC ACID
3-METHYLFLAVONE-8-CARBOXYLIC ACID
4H-1-BENZOPYRAN-8-CARBOXYLIC ACID, 3-METHYL-4-OXO-2-PHENYL-
8-CARBOXY-3-METHYLFLAVONE
LABOTEST-BB LT00454344
TIMTEC-BB SBB001131
3-Methylflavone-8-carboxylic
3-METHYLFLAVONE-8-CARBOXYLIC ACID 98+%
3-methyl-4-oxo-2-phenyl-
4H-1-Benzopyran-8-carboxylic acid
2-Phenyl-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid
[EINECS(EC#)]

222-425-2
[Molecular Formula]

C17H12O4
[MDL Number]

MFCD00040998
[Molecular Weight]

280.27
[MOL File]

3468-01-7.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[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
[Usage]

The main active metabolite of Flavoxate hydrochloride (FX) in human.
[BRN ]

1433509
[Major Application]

pharmaceutical (small molecule)
[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)
[InChIKey]

KMMBBZOSQNLLMN-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=CC=C2)OC2=C(C(O)=O)C=CC=C2C(=O)C=1C
[CAS DataBase Reference]

3468-01-7(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

2932996560
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

The main active metabolite of Flavoxate hydrochloride (FX) in human.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylflavone-8-carboxylic acid(3468-01-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methylflavone-8-carboxylic acid, 98+%(3468-01-7)
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