3-Aminocoumarin Structure

3-Aminocoumarin

Chemical Properties

Melting point 135-139 °C (lit.)
Boiling point 355.2±31.0 °C(Predicted)
Density  1.313±0.06 g/cm3(Predicted)
storage temp.  2-8°C
form  powder to crystal
pka 3.22±0.20(Predicted)
color  White to Yellow to Orange
λmax 289nm(lit.)
BRN  128033
InChI 1S/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2
InChIKey QWZHDKGQKYEBKK-UHFFFAOYSA-N
SMILES NC1=Cc2ccccc2OC1=O
LogP 1.170 (est)
CAS DataBase Reference 1635-31-0(CAS DataBase Reference)
FDA UNII PC6801C293
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
HS Code  29322010
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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