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CAS No.: | 811-98-3 |
---|---|
Name: | METHANOL-D4 |
Article Data: | 27 |
Molecular Structure: | |
Formula: | CD4O |
Molecular Weight: | 36.0104 |
Synonyms: | Methanol-d4(6CI,7CI,8CI,9CI);Methyl-d3 alcohol-d;Perdeuterated methanol;Perdeuteratedmethyl alcohol;Perdeuteriomethanol;Perdeuteromethanol;Tetradeuteriomethanol;Tetradeuteromethanol; |
EINECS: | 212-378-6 |
Density: | 0.847 g/cm3 |
Melting Point: | -99 °C |
Boiling Point: | 48.1 °C at 760 mmHg |
Flash Point: | 11.1 °C |
Solubility: | Miscible with water |
Appearance: | colourless liquid |
Hazard Symbols: | F,T |
Risk Codes: | 11-23/24/25-39/23/24/25 |
Safety: | 7-16-36/37-45 |
Transport Information: | UN 1230 3/PG 2 |
PSA: | 20.23000 |
LogP: | -0.39150 |
Conditions | Yield |
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With deuterium hydride at 25℃; Equilibrium constant; | |
With water-d2 at 200℃; |
Conditions | Yield |
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With deuteriated sodium hydroxide; water-d2 at 100℃; |
Conditions | Yield |
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With perchloric acid; sodium perchlorate; water-d2 In tetrahydrofuran at 25℃; pH 13.9; |
N-(dimethylphosphoryl)ethyleneimine
A
1-deuteroaziridine
B
d(4)-methanol
C
sodium dimethyl phosphate
Conditions | Yield |
---|---|
With deuteriated sodium hydroxide In water-d2 at 31℃; Product distribution; Rate constant; dependence of relative reactivity of the P-O and P-N bond on OD(1-) concentration; |
1,3-dimethyl-1-triazene
A
<2H1>methan<2H>ol
B
deuteromethanol
C
d(4)-methanol
D
CD2HOD
E
methylamine
Conditions | Yield |
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With phosphate buffer In water at 25℃; Rate constant; Product distribution; Mechanism; further buffer, different pH; solvent isotope effects were measured; |
Conditions | Yield |
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FeO(1+) Product distribution; |
Conditions | Yield |
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at 26.9℃; under 0.3 - 0.6 Torr; Thermodynamic data; Rate constant; ΔH; selected ion flow tube; | |
at 26.9℃; under 0.3 - 0.6 Torr; Thermodynamic data; Rate constant; Equilibrium constant; ΔH; selected ion flow tube; |
Conditions | Yield |
---|---|
With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH; |
Conditions | Yield |
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With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH; |
Conditions | Yield |
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With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH; |
The CAS register number of Methan-d3-ol-d is 811-98-3. It also can be called as Perdeuteromethano and the systematic name about this chemical is (2H3)methan(2H)ol. The molecular formula about this chemical is CD4O and the molecular weight is 36.07. It belongs to the following product categories which include Analytical Chemistry; Deuterated Compounds for NMR; NMR Spectrometry and so on.
Physical properties about Methan-d3-ol-d are: (1)ACD/LogP: -0.72; (2)ACD/LogD (pH 5.5): -0.72; (3)ACD/LogD (pH 7.4): -0.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.68; (7)ACD/KOC (pH 7.4): 9.68; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 9.23Å2; (11)Index of Refraction: 1.31; (12)Molar Refractivity: 8.21 cm3; (13)Molar Volume: 42.5 cm3; (14)Polarizability: 3.25x10-24cm3; (15)Surface Tension: 18.8 dyne/cm; (16)Flash Point: 11.1 °C; (17)Enthalpy of Vaporization: 35.21 kJ/mol; (18)Boiling Point: 48.1 °C at 760 mmHg; (19)Vapour Pressure: 265 mmHg at 25°C.
Uses of Methan-d3-ol-d: it can be used to produce chloro-trideuterio-methane at ambient temperature. This reaction will need reagent PCl3.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation or in contact with skin and if swallowed. It is highly flammable. It also has danger of very serious irreversible effects. If you want to store this chemical, please keep container tightly closed. When you are using it, wear suitable protective clothing and gloves, you should also keep away from sources of ignition. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])O[2H]
(2)InChI: InChI=1/CH4O/c1-2/h2H,1H3/i1D3,2D
(3)InChIKey: OKKJLVBELUTLKV-MZCSYVLQEG
(4)Std. InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D
(5)Std. InChIKey: OKKJLVBELUTLKV-MZCSYVLQSA-N