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13229-92-0

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13229-92-0 Structure

13229-92-0 Structure
IdentificationBack Directory
[Name]

3-CYANO-7-METHOXYCOUMARIN
[CAS]

13229-92-0
[Synonyms]

3-CYANO-7-METHOXYCOUMARIN
7-Methoxy-2-oxo-2H-chromene-3-carbonitrile
[Molecular Formula]

C11H7NO3
[MDL Number]

MFCD00037481
[MOL File]

13229-92-0.mol
[Molecular Weight]

201.18
Chemical PropertiesBack Directory
[Melting point ]

210-212 °C
[Boiling point ]

389.4±42.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[color ]

pale yellow
[InChI]

1S/C11H7NO3/c1-14-9-3-2-7-4-8(6-12)11(13)15-10(7)5-9/h2-5H,1H3
[InChIKey]

GGAFPIBJPYCFGR-UHFFFAOYSA-N
[SMILES]

COc1ccc2C=C(C#N)C(=O)Oc2c1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H312-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P301+P310-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36/37/39
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HS Code ]

2932209090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Uses]

3-Cyano-7-methoxycoumarin can be used as a fluorophore in cytochrome P450 (CYP)-based fluorescent assays.
[Biological Activity]

Fluorescent CYP1A1 &1A2 substrate
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