31005-02-4

Name 7-ETHOXYCOUMARIN
CAS 31005-02-4
EINECS(EC#) 250-429-4
Molecular Formula C11H10O3
MDL Number MFCD00006877
Molecular Weight 190.2
MOL File 31005-02-4.mol

Chemical Properties

Appearance BEIGE CRYSTALLINE POWDER
Melting point  88-90 °C (lit.)
Boiling point  265.69°C (rough estimate)
density  1.1803 (rough estimate)
refractive index  1.4260 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
form  Solid
color  Off-White to Pale Brown
Water Solubility  Soluble in hot methanol (very faint turbidity), 95% ethanol (50 mg/ml), DMF, and DMSO. Insoluble in water.
Usage A substrate for CYP2B6
Detection Methods HPLC,NMR
BRN  146200
InChI 1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
InChIKey LIFAQMGORKPVDH-UHFFFAOYSA-N
SMILES CCOc1ccc2C=CC(=O)Oc2c1
LogP 2.310 (est)
CAS DataBase Reference 31005-02-4(CAS DataBase Reference)
Storage Precautions Light sensitive

Safety Data

Hazard Codes  Xi
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
8
Hazard Note  Irritant
TSCA  Yes
HS Code  29329990
Storage Class 11 - Combustible Solids

Raw materials And Preparation Products

Hazard Information

Well-known Reagent Company Product Information

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