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| CAS No.: | 30266-58-1 |
|---|---|
| Name: | 1,2,3,4-TETRAOXO-1,2,3,4-TETRAHYDRONAPHTHALENE DIHYDRATE |
| Article Data: | 1 |
| Molecular Structure: | |
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|
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| Formula: | C10H4O4 |
| Molecular Weight: | 188.139 |
| Synonyms: | 1,2,3,4-Tetraketotetralin;1,2,3,4-Tetraoxo-1,2,3,4-tetrahydronaphthalene;1,2,3,4-Tetraoxotetralin;Oxolin;naphthalene-1,2,3,4-tetrone;naphthalene-1,2,3,4-tetrone; |
| Density: | 1.538 g/cm3 |
| Boiling Point: | 394.6 °C at 760 mmHg |
| Flash Point: | 175 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 68.28000 |
| LogP: | -0.84380 |
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Specification
The 1,2,3,4-Naphthalenetetrone, with the CAS registry number 30266-58-1, has the systematic name and IUPAC name of naphthalene-1,2,3,4-tetrone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H4O4.
The characteristics of 1,2,3,4-Naphthalenetetrone are as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.65; (8)ACD/KOC (pH 7.4): 22.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 68.28 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 43.56 cm3; (15)Molar Volume: 122.2 cm3; (16)Polarizability: 17.26×10-24cm3; (17)Surface Tension: 69.7 dyne/cm; (18)Density: 1.538 g/cm3; (19)Flash Point: 175 °C; (20)Enthalpy of Vaporization: 64.47 kJ/mol; (21)Boiling Point: 394.6 °C at 760 mmHg; (22)Vapour Pressure: 1.95E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1c(cccc1)C(=O)C(=O)C2=O
(2)InChI: InChI=1/C10H4O4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H
(3)InChIKey: HZVGIXIRNANSHU-UHFFFAOYAN