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Ethyl coumarin-3-carboxylate Structure

Ethyl coumarin-3-carboxylate

  • Product NameEthyl coumarin-3-carboxylate
  • CAS1846-76-0
  • CBNumberCB6403423
  • MFC12H10O4
  • MW218.21
  • EINECS811-043-7
  • MDL NumberMFCD00016964
  • MOL File1846-76-0.mol

Chemical Properties

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

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H302-H371-H370-H372-H373-H341-H411
Precautionary statements  P501-P273-P260-P270-P202-P201-P264-P280-P391-P308+P311-P301+P312+P330-P405
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  Xi
Safety Statements  24/25
WGK Germany  3
RTECS  DJ2501000
HazardClass  IRRITANT
HS Code  2932209090
Storage Class 11 - Combustible Solids
NFPA 704:
1
0 0

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