29310-88-1

Name (3-BROMOACETYL)COUMARIN
CAS 29310-88-1
Molecular Formula C11H7BrO3
MDL Number MFCD00488331
Molecular Weight 267.08
MOL File 29310-88-1.mol
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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)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
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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