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4(3H)-Quinazolinone
[CAS# 134434-33-6]

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CAS#: 134434-33-6
Product: 4(3H)-Quinazolinone
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Identification
Name 4(3H)-Quinazolinone
Molecular Structure CAS#: 134434-33-6, 4(3H)-Quinazolinone
Molecular Formula C8H6N2O
Molecular Weight 146.15
CAS Registry Number 134434-33-6
SMILES C1=CC=C2C(=C1)C(=O)NC=N2
InChI 1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChIKey QMNUDYFKZYBWQX-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 219°C (Expl.)
Boiling point 360.0±11.0°C at 760 mmHg (Cal.)
Flash point 171.5±19.3°C (Cal.)
Refractive index 1.667 (Cal.)
solubility Soluble to 10 mM in water and to 100 mM in DMSO
Safety Data
Safety Code S26;S36/37  Details
Risk Code R22;R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description IRRITANT
WARNING: Irritates skin and eyes, harmful if swallowed
CAUTION: May irritate eyes, skin, and respiratory tract
References
(1) K. Siva Kumar, P. Mahesh Kumar, M. Appi Reddy, Md. Ferozuddin, M. Sreenivasulu, Ahamed A. Jafar, G. R. Krishna, C. Malla Reddy, D. Rambabu, K. Shiva Kumar, Sarbani Pal and Manojit Pal. Yb(OTf)3 catalyzed new cascade reaction: a facile assembly of fused quinazolinones, Chem. Commun., 2011, 47, 10263.
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List of Reports Available for 4(3H)-Quinazolinone
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