1846-76-0

Name ETHYL COUMARIN-3-CARBOXYLATE
CAS 1846-76-0
EINECS(EC#) 208-518-0
Molecular Formula C12H10O4
MDL Number MFCD00016964
Molecular Weight 218.21
MOL File 1846-76-0.mol
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Chemical Properties

Appearance slightly yellow crystalline powder
Melting point  92-94 °C (lit.)
Boiling point  278.88°C (rough estimate)
density  1.1096 (rough estimate)
refractive index  1.4270 (estimate)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  powder to crystal
color  White to Almost white
λmax 334nm(CH2Cl2)(lit.)
BRN  200147
InChI 1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChIKey XKHPEMKBJGUYCM-UHFFFAOYSA-N
SMILES CCOC(=O)C1=Cc2ccccc2OC1=O
CAS DataBase Reference 1846-76-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  DJ2501000
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29322090
Storage Class 11 - Combustible Solids

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