27613-27-0

Name 3-Cyanophthalide
CAS 27613-27-0
Molecular Formula C9H5NO2
MDL Number MFCD15143655
Molecular Weight 159.14
MOL File 27613-27-0.mol
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Chemical Properties

Melting point  120-121 °C(Solv: ethanol (64-17-5); hexane (110-54-3))
Boiling point  394.1±42.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
storage temp.  Store at room temperature
form  powder
Appearance White to off-white Solid
BRN  4292885
InChI 1S/C9H5NO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8H
InChIKey PUIVIZQHTBRFTR-UHFFFAOYSA-N
SMILES O=C1OC(C#N)c2ccccc12

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Skin Sens. 1

Spectrum Detail

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