1,4-Naphthalenedione-2,3,5,6,7,8-d6(9CI) supplier

Name
1,4-NAPHTHOQUINONE-D6
EINECS
CAS No. 26473-08-5
Article Data3
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₀D₆O₂
Boiling Point 297.935 °C at 760 mmHg
Molecular Weight 164.109
Flash Point 111.219 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Naphthoquinone-2,3,5,6,7,8-d6(8CI);Perdeutero-1,4-naphthoquinone;(²H₆)Naphthalene-1,4-dione;1,4-naphthalenedione-d₆;1,4-naphthalenedione-d6;
PSA 34.14000
LogP 1.62180

1,4-Naphthalenedione-2,3,5,6,7,8-d6(9CI) Specification

The 1,4-Naphthalenedione-2,3,5,6,7,8-d6(9CI), with the CAS registry number 26473-08-5, has the systematic name of (²H₆)Naphthalene-1,4-dione. The molecular formula of the chemical is C₁₀D₆O₂, and its molecular weight is 164.19.

The characteristics of 1,4-Naphthalenedione-2,3,5,6,7,8-d6(9CI) are as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.573; (4)ACD/LogD (pH 7.4): 1.573; (5)ACD/BCF (pH 5.5): 9.229; (6)ACD/BCF (pH 7.4): 9.229; (7)ACD/KOC (pH 5.5): 170.799; (8)ACD/KOC (pH 7.4): 170.799; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 42.904 cm³; (15)Molar Volume: 122.551 cm³; (16)Polarizability: 17.008×10^-24cm³; (17)Surface Tension: 52.917 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 111.219 °C; (20)Enthalpy of Vaporization: 53.782 kJ/mol; (21)Boiling Point: 297.935 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)[2H])[2H])[2H])[2H]
(2)InChI: InChI=1/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H/i1D,2D,3D,4D,5D,6D
(3)InChIKey: FRASJONUBLZVQX-MZWXYZOWEL

Product Name

1,4-NAPHTHOQUINONE-D6

1,4-Naphthalenedione-2,3,5,6,7,8-d6(9CI) Specification

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