Basic information
- Name:
Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-d12
- CAS No.:
1735-17-7
- Molecular Structure:
- Formula:
- C6D12
- Molecular Weight:
- 96.23
- Synonyms:
- Cyclohexane-d12(6CI,8CI,9CI);Cyclohexane-2H12;Dodecadeuterocyclohexane;Perdeuteratedcyclohexane;Perdeuteriocyclohexane;d12-Cyclohexane;
- EINECS:
- 217-077-3
- Density:
- 0.791 g/cm3
- Melting Point:
- 6.5 °C
- Boiling Point:
- 80.719 °C at 760 mmHg
- Appearance:
- Colourless liquid with mild odour
- Hazard Symbols:
F, 
Xn, 
N- Risk Codes:
- 11-38-50/53-65-67
- Safety Description:
- 9-16-25-33-60-61-62 Details
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Specification
The Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-d12 is an organic compound with the formula C6D12. The IUPAC name of this chemical is 1,1,2,2,3,3,4,4,5,5,6,6-Dodecadeuteriocyclohexane. With the CAS registry number 1735-17-7, it is also named as Cyclohexan. The product's categories are Alphabetical Listings; CStable Isotopes; NMR - Solvents; NMR Solvents and Reagents; NMRStable Isotopes; Stable Isotopes. Besides, it is colourless liquid with mild odour, which should be stored in a cool, sealed, dry place.
Physical properties about Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-d12 are: (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3.163; (3)ACD/LogD (pH 7.4): 3.163; (4)ACD/BCF (pH 5.5): 149.118; (5)ACD/BCF (pH 7.4): 149.118; (6)ACD/KOC (pH 5.5): 1251.474; (7)ACD/KOC (pH 7.4): 1251.474; (8)Index of Refraction: 1.433; (9)Molar Refractivity: 27.67 cm3; (10)Molar Volume: 106.454 cm3; (11)Polarizability: 10.969×10-24 cm3; (12)Surface Tension: 25.943 dyne/cm; (13)Density: 0.791 g/cm3; (14)Enthalpy of Vaporization: 29.97 kJ/mol; (15)Boiling Point: 80.719 °C at 760 mmHg; (16)Vapour Pressure: 93.669 mmHg at 25 °C.
Uses of Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-d12: it can be used to produce [18O]cyclohexanol at temperature of 20 °C. This reaction is a kind of Hydroxylation. It will need reagents H2O2; Meso-tetrakis(pentafluorophenyl)porphirinato Fe(IV) nitrate; H2(18)O and solvents acetonitrile; CH2Cl2 with reaction time of 5 min. The yield is about 20%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, and irritating to the skin. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Besides, this chemical may cause lung damage if swallowed. Its vapors may cause drowsiness and dizziness. When you are using it, keep container in a well-ventilated place, and keep away from sources of ignition - No smoking. Avoid contact with eyes, and take precautionary measures against static discharges. This material and/or its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions safety data sheet. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2
(2)InChIKey: XDTMQSROBMDMFD-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
(4)Std. InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N