81945-13-3

Name 1H-Inden-1-one,4-bromo-2,3-dihydro-7-hydroxy-
CAS 81945-13-3
Molecular Formula C9H7BrO2
MDL Number MFCD00463881
Molecular Weight 227.05
MOL File 81945-13-3.mol
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Chemical Properties

Melting point  144-148℃
Boiling point  371.2±42.0 °C(Predicted)
density  1.751±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
form  solid
pka 9.72±0.20(Predicted)
Appearance White to off-white Solid
InChI 1S/C9H7BrO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2
InChIKey ZTWBCFVYMDBPPD-UHFFFAOYSA-N
SMILES Oc1ccc(Br)c2CCC(=O)c12

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Spectrum Detail

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