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Key Documents

UC454

Sigma-Aldrich

3-Cyano-7-methoxycoumarin

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About This Item

Empirical Formula (Hill Notation):
C11H7NO3
CAS Number:
Molecular Weight:
201.18
MDL number:
UNSPSC Code:
12161501
PubChem Substance ID:
NACRES:
NA.77

form

solid

color

pale yellow

mp

210-212 °C

storage temp.

2-8°C

SMILES string

COc1ccc2C=C(C#N)C(=O)Oc2c1

InChI

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

InChI key

GGAFPIBJPYCFGR-UHFFFAOYSA-N

Application

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

Biochem/physiol Actions

Fluorescent CYP1A1 &1A2 substrate

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

Skull and crossbones

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves


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