1,4-Naphthalenedione,2,3,5,7-tetrahydroxy- supplier

Name
2,3,5,7-Tetrahydroxy-1,4-naphthoquinone
EINECS
CAS No. 604-46-6
Density 2.031 g/cm³
Solubility
Melting Point
Formula C₁₀H₆O₆
Boiling Point 499.5 °C at 760 mmHg
Molecular Weight 222.154
Flash Point 270 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Naphthoquinone,2,3,5,7-tetrahydroxy- (6CI,7CI,8CI);2,3,5,7-Tetrahydroxy-1,4-naphthoquinone;NSC 288042;Spinochrom B;2,3,5,7-tetrahydroxynaphthalene-1,4-dione;
PSA 115.06000
LogP 0.80440

1,4-Naphthalenedione,2,3,5,7-tetrahydroxy- Specification

The 1,4-Naphthalenedione,2,3,5,7-tetrahydroxy-, with the CAS registry number 604-46-6, is also known as 2,3,5,7-Tetrahydroxy-1,4-naphthoquinone. This chemical's molecular formula is C₁₀H₆O₆ and molecular weight is 222.15. What's more, its systematic name is 2,3,5,7-tetrahydroxynaphthalene-1,4-dione.

Physical properties of 1,4-Naphthalenedione,2,3,5,7-tetrahydroxy- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.92; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 115.06 Å²; (10)Index of Refraction: 1.873; (11)Molar Refractivity: 49.83 cm³; (12)Molar Volume: 109.3 cm³; (13)Polarizability: 19.75×10^-24cm³; (14)Surface Tension: 157.6 dyne/cm; (15)Density: 2.031 g/cm³; (16)Flash Point: 270 °C; (17)Enthalpy of Vaporization: 79.71 kJ/mol; (18)Boiling Point: 499.5 °C at 760 mmHg; (19)Vapour Pressure: 1.33E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(O)c2c(c1)C(=O)C(\O)=C(\O)C2=O
(2)InChI: InChI=1S/C10H6O6/c11-3-1-4-6(5(12)2-3)8(14)10(16)9(15)7(4)13/h1-2,11-12,15-16H
(3)InChIKey: RWRKDUHFUYRCIT-UHFFFAOYSA-N

Product Name

2,3,5,7-Tetrahydroxy-1,4-naphthoquinone

1,4-Naphthalenedione,2,3,5,7-tetrahydroxy- Specification

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