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2,5-Cyclohexadiene-1,4-dione-2,3,5,6-d4

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Name

2,5-Cyclohexadiene-1,4-dione-2,3,5,6-d4

EINECS N/A
CAS No. 2237-14-1 Density 1.303 g/cm3
PSA 34.14000 LogP 0.25060
Solubility N/A Melting Point 113-115 °C(lit.)
Formula C6D4O2 Boiling Point 174 °C at 760 mmHg
Molecular Weight 112.065 Flash Point 59.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 2237-14-1 (1,4-BENZOQUINONE-D4) Hazard Symbols ToxicT
Synonyms

p-Benzoquinone-2,3,5,6-d4(8CI);p-Benzoquinone-d4(7CI);1,4-Benzoquinone-d4;Benzoquinone-d4;Perdeutero-p-benzoquinone;2,3,5,6-Tetradeuterio-1,4-benzoquinone;

Article Data 5

2,5-Cyclohexadiene-1,4-dione-2,3,5,6-d4 Specification

The 2,5-Cyclohexadiene-1,4-dione-2,3,5,6-d4, with the CAS registry number 2237-14-1, is also known as Perdeutero-p-benzoquinone. This chemical's molecular formula is C6D4O2 and molecular weight is 112.12. What's more, its systematic name is 2,3,5,6-tetradeuterio-1,4-benzoquinone. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants.

Physical properties of 2,5-Cyclohexadiene-1,4-dione-2,3,5,6-d4 are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 34.14 Å2; (9)Index of Refraction: 1.543; (10)Molar Refractivity: 27.13 cm3; (11)Molar Volume: 86 cm3; (12)Polarizability: 10.75×10-24cm3; (13)Surface Tension: 47.8 dyne/cm; (14)Density: 1.303 g/cm3; (15)Flash Point: 59.3 °C; (16)Enthalpy of Vaporization: 41.04 kJ/mol; (17)Boiling Point: 174 °C at 760 mmHg; (18)Vapour Pressure: 1.23 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C=1C(=O)C(\[2H])=C(\[2H])C(=O)C=1[2H]
(2)InChI: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D
(3)InChIKey: AZQWKYJCGOJGHM-RHQRLBAQSA-N

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