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1,3-Isobenzofurandione, Oxidized
[CAS# 68411-80-3]

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Identification
Name 1,3-Isobenzofurandione, Oxidized
Synonyms Isobenzofuran-1,3-Quinone; Phthalic Anhydride, Oxidized; Aids189619
Molecular Formula C8H4O3
Molecular Weight 148.12
CAS Registry Number 68411-80-3
EINECS 270-149-6
SMILES C1=C2C(=CC=C1)C(=O)OC2=O
InChI 1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChIKey LGRFSURHDFAFJT-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
1.53 (Expl.)
Melting point 129-133°C (Expl.)
Boiling point 294.999°C at 760 mmHg (Cal.)
295°C (Expl.)
Flash point 151.6667°C (Expl.)
139.7±15.9°C (Cal.)
solubility 0.6%
Safety Data
Safety Code S23;S24/25;S26;S37/39;S46  Details
Risk Code R22;R37/38;R41;R42/43  Details
Hazard Symbol symbol  X  Details
Transport Information UN2214
Safety Description WARNING: Irritates skin and eyes
DANGER: CORROSIVE, burns skin and eyes
WARNING: Irritates skin and eyes, harmful if swallowed
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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