(3-Bromoacetyl)coumarin Structure

(3-Bromoacetyl)coumarin

Chemical Properties

Melting point 164-168 °C (lit.)
Boiling point 424.6±45.0 °C(Predicted)
Density  1.674±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
form  powder to crystal
color  White to Orange to Green
λmax 363nm(MeOH)(lit.)
InChI 1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2
InChIKey NTYOLVNSXVYRTJ-UHFFFAOYSA-N
SMILES BrCC(=O)C1=Cc2ccccc2OC1=O
CAS DataBase Reference 29310-88-1(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302-H318
Precautionary statements P264-P270-P280-P301+P312-P305+P351+P338-P501
Hazard Codes  Xn
Risk Statements  22-41
Safety Statements  26-36/39
WGK Germany  3
HazardClass  IRRITANT
HS Code  2932209090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1

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