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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 Structure CAS#: 68411-80-3, 1,3-Isobenzofurandione, Oxidized
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, harmful if swallowed
WARNING: Irritates skin and eyes
DANGER: CORROSIVE, burns skin and eyes
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
Market Analysis Reports
List of Reports Available for 1,3-Isobenzofurandione, Oxidized
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