Methan-d3-ol-d supplier | CasNO.811-98-3

Name
METHANOL-D4
EINECS 212-378-6
CAS No. 811-98-3
Article Data27
CAS DataBase
Density 0.847 g/cm³
Solubility Miscible with water
Melting Point -99 °C
Formula CD₄O
Boiling Point 48.1 °C at 760 mmHg
Molecular Weight 36.0104
Flash Point 11.1 °C
Transport Information UN 1230 3/PG 2
Appearance colourless liquid
Safety 7-16-36/37-45
Risk Codes 11-23/24/25-39/23/24/25
Molecular Structure
Hazard Symbols F,T
Synonyms Methanol-d4(6CI,7CI,8CI,9CI);Methyl-d3 alcohol-d;Perdeuterated methanol;Perdeuteratedmethyl alcohol;Perdeuteriomethanol;Perdeuteromethanol;Tetradeuteriomethanol;Tetradeuteromethanol;
PSA 20.23000
LogP -0.39150

Synthetic route

: 1849-29-2
1,1,1-trideuteromethanol

: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
With deuterium hydride at 25℃; Equilibrium constant;
With water-d2 at 200℃;

: 1111-88-2
Trideutero-methylbromid

: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
With deuteriated sodium hydroxide; water-d2 at 100℃;

: 186581-53-3, 908094-01-9
diazomethane

A: 811-98-3
d(4)-methanol

B: C5H8(2)H4O2

Conditions

Conditions	Yield
With perchloric acid; sodium perchlorate; water-d2 In tetrahydrofuran at 25℃; pH 13.9;

: 469-47-6
N-(dimethylphosphoryl)ethyleneimine

A: 5381-40-8
1-deuteroaziridine

B: 811-98-3
d(4)-methanol

C: 32586-82-6
sodium dimethyl phosphate

Conditions

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;

...Expand

: 3585-32-8, 115246-94-1, 115246-96-3, 467426-36-4
1,3-dimethyl-1-triazene

A: 53952-42-4
<2H1>methan<2H>ol

B: 1455-13-6
deuteromethanol

C: 811-98-3
d(4)-methanol

D: 53952-43-5
CD2HOD

E: 74-89-5
methylamine

Conditions

Conditions	Yield
With phosphate buffer In water at 25℃; Rate constant; Product distribution; Mechanism; further buffer, different pH; solvent isotope effects were measured;

...Expand

: 558-20-3
methane

A: 2122-44-3
deuterated methyl radical

B: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
FeO(1+) Product distribution;

: 1455-13-6
deuteromethanol

: 51679-31-3
methoxide-d3 anion

A: 811-98-3
d(4)-methanol

B: 3315-60-4
methanolate

Conditions

Conditions	Yield
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;

...Expand

: 1455-13-6
deuteromethanol

: C(2)H4O*CH3O(1-)

A: 811-98-3
d(4)-methanol

B: CH3(2)HO*CH3O(1-)

Conditions

Conditions	Yield
With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH;

...Expand

: 1455-13-6
deuteromethanol

: C(2)H4O*C(2)H3O(1-)

A: 811-98-3
d(4)-methanol

B: C(2)H4O*CH3O(1-)

Conditions

Conditions	Yield
With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH;

...Expand

: 1849-29-2
1,1,1-trideuteromethanol

: C(2)H4O*C(2)H3O(1-)

A: 811-98-3
d(4)-methanol

B: C(2)H3O(1-)*CH(2)H3O

Conditions

Conditions	Yield
With helium In gas under 0.5 Torr; Rate constant; Thermodynamic data; Mechanism; Ambient temperature; ΔH;

...Expand

: 597-07-9
N,N-dimethyl-O,O-dimethylphosphoramidate

A: 811-98-3
d(4)-methanol

B: 63581-80-6
sodium methyl-dimethylamidophosphate

Conditions

Conditions	Yield
With deuteriated sodium hydroxide In water-d2 at 25℃; Rate constant; relative reactivity of the P-O and P-N bond;

: 56856-83-8
(N-Nitrosomethylamino)methyl acetate

A: 53952-42-4
<2H1>methan<2H>ol

B: 1455-13-6
deuteromethanol

C: 811-98-3
d(4)-methanol

D: 53952-43-5
CD2HOD

Conditions

Conditions	Yield
With water-d2 at 20℃; for 14h; Product distribution; pH=7.4, other methyldiazonium ion sources;

...Expand

: C(2)H4NO3(1+)

: 71-43-2
benzene

A: 811-98-3
d(4)-methanol

B: C6H6NO2(1+)

Conditions

Conditions	Yield
at 26.9℃; Rate constant; Mechanism; other arenes;

...Expand

: 75-09-2
dichloromethane

A: 811-98-3
d(4)-methanol

B: 14806-23-6
formate

Conditions

Conditions	Yield
With deuteriated sodium hydroxide In water-d2 at 250℃; Product distribution;

carbon monoxide: carbon monoxide

: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
With copper-zinc-chromium oxide; deuterium

CO: CO

: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
With copper-zinc-chromium oxide; deuterium at 280℃; under 2574.3 Torr;

: 1849-29-2
1,1,1-trideuteromethanol

A: 811-98-3
d(4)-methanol

B: 23731-40-0
methyl[D4] formate

C H2O: H2O

Conditions

Conditions	Yield
With oxygen at -148.1 - 126.9℃; Product distribution; Mechanism; in a stainless steel vacuum chamber with a base pressure 8E-10 torr; temperature-programmed reaction spectroscopy;

...Expand

: C(2)H3O(1-)*(2)H2O

A: 811-98-3
d(4)-methanol

B O(2)H(1-)8((2)H)2O: O(2)H(1-)8((2)H)2O

Conditions

Conditions	Yield
With water-d2 at 196.9 - 276.9℃; Thermodynamic data; -ΔH0, -ΔS0;

: C27H28(2)H3N3O5

A: 851959-12-1
(-)-avrainvillamide

B: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
at 23℃; Equilibrium constant;

: 7263-60-7
trideuterio-methyloxyl

A: 1664-98-8
paraformaldehyde-d2

B: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
In gas Kinetics;

: 1849-29-2
1,1,1-trideuteromethanol

A: 1664-98-8
paraformaldehyde-d2

B: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
With titanium(IV) oxide at -173.16℃; for 0.5h; Irradiation;

: 34557-54-5
methane

: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
With sulfuric acid-d2 In dimethyl sulfoxide at 180℃; under 25858.1 Torr; for 1h; Kinetics; Inert atmosphere;

: 1849-29-2
1,1,1-trideuteromethanol

A: 811-98-3
d(4)-methanol

B: 53952-43-5
CD2HOD

Conditions

Conditions	Yield
With hydrogen In water at 240℃; under 55055.5 Torr;

: 2219-52-5
ethylene glycol-d2

A: 53952-42-4
<2H1>methan<2H>ol

B: 1455-13-6
deuteromethanol

C: 811-98-3
d(4)-methanol

D: 53952-43-5
CD2HOD

E: C2H3(2)H3O2

F: C2H2(2)H4O2

G: C2H2(2)H4O2

Conditions

Conditions	Yield
With hydrogen In water-d2 at 240℃; under 55055.5 Torr;

...Expand

: 67-56-1
methanol

: 811-98-3
d(4)-methanol

Conditions

Conditions	Yield
With d8-isopropanol; carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)-amino]ruthenium(II); potassium carbonate at 140℃; for 3h; Glovebox;	94 %Spectr.

: 115-10-6
Dimethyl ether

: 124-38-9
carbon dioxide

A: 1516-08-1
ethanol-d6

B: 811-98-3
d(4)-methanol

C: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride; deuterium; cobalt(II) iodide; lithium iodide at 180℃; for 12h;

...Expand

: 201230-82-2
carbon monoxide

A: 1664-98-8
paraformaldehyde-d2

B: 24286-05-3
deuterioformyl

C: 811-98-3
d(4)-methanol

D: 920-42-3
dideuterioformic acid

E: 124-38-9
carbon dioxide

F: trans-DOCO

G: 1111-72-4
carbon dioxide

H: (18)CO2

Conditions

Conditions	Yield
With water-d2 for 2h; Irradiation;

...Expand

: 124-38-9
carbon dioxide

A: 558-20-3
methane

B: 811-98-3
d(4)-methanol

C: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
With deuterium at 170℃; under 750.075 Torr; Catalytic behavior; Reagent/catalyst;

...Expand

: 811-98-3
d(4)-methanol

: 5663-67-2
2-acetoxybenzaldehyde

: 2-hydroxybenzaldehyde (D6)dimethyl acetal

Conditions

Conditions	Yield
With sodium methoxide-d3 for 0.116667h; Ambient temperature;	100%

: 811-98-3
d(4)-methanol

: 186697-28-9
Acetic acid 9-methoxymethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl ester

: trideuteriomethoxy-9-trideuteriomethoxymethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

Conditions

Conditions	Yield
at 55 - 60℃; for 12h;	100%

: 811-98-3
d(4)-methanol

: 7351-83-9
dimethyl phosphate anion

: C2(2)H6O4P(1-)

Conditions

Conditions	Yield
With octaazamacrocyclic copper(II) at 55℃; for 72h; Kinetics; Further Variations:; Temperatures; Reagents;	100%

: 811-98-3
d(4)-methanol

: 427898-76-8
4,4,6,6-tetramethyl-2-(trifluoroacetyl)cyclohex-2-enone

: C13H15(2)H4F3O3

Conditions

Conditions	Yield
	100%

: 5650-52-2
4,5-dihydro-6H-cyclopenta[b]thiophen-6-one

: 811-98-3
d(4)-methanol

: 584-08-7
potassium carbonate

: 133899-08-8
5,5-Dideutero-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one

Conditions

Conditions	Yield
In benzene	100%

...Expand

: 811-98-3
d(4)-methanol

: 350-46-9
4-Fluoronitrobenzene

: 54536-23-1
1-(methoxy-d3)-4-nitrobenzene

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran at 15 - 25℃; for 5h;	100%
With potassium hydroxide at 20℃; for 36h; Inert atmosphere; Reflux;	93%

: bis(tetrabutylammonium)-decahydro-closo-decaborate

: 811-98-3
d(4)-methanol

: (Bu4N)2[1,10-B10H8D2]

Conditions

Conditions	Yield
In d(4)-methanol soln. of borate in deuterated MeOH was stored for 3 days at 20°C; solvent distilled off at 20°C in vac.;	100%

: 811-98-3
d(4)-methanol

: 872415-81-1
(5,10,15,20-tetrakis(p-tolyl)porphyrinato)carbonyliridium(III) chloride

: 872415-80-0
(5,10,15,20-tetra-p-tolylporphyrinato)(methyl-d3)iridium(III)

Conditions

Conditions	Yield
In tetradeuteriomethanol (N2), 200°C, 23 days; column chromy.;	100%
at 200℃; for 552h; Sealed tube;	100%
With KOH In methanol (N2), 200°C, 1 day;	70%

: 811-98-3
d(4)-methanol

: C4(2)H12BO4(1+)*Na(1+)

Conditions

Conditions	Yield
With sodium tetrahydroborate	100%

: 811-98-3
d(4)-methanol

: 3,5-di(methoxycarbonyl)-N-[(pentafluorophenyl)methyl]pyridinium bromide

: N-(pentafluorobenzyl)-2-(trideuteromethoxy)-1,2-dihydropyridine

Conditions

Conditions	Yield
With diethylaminomethyl polystyrene In chloroform-d1 at 20℃; for 0.166667h;	100%

: 811-98-3
d(4)-methanol

: 3,6-dichloro-4-(d7-p-tolyl)-5-(d5-phenyl)pyridazine-4,5-13C2

: 3,6-di(d3-methoxy)-4-(d7-p-tolyl)-5-(d5-phenyl)pyridazine-4,5-13C2

Conditions

Conditions	Yield
With sodium hydride In mineral oil for 24h; Reflux;	100%

: 811-98-3
d(4)-methanol

: C10H7(2)H5O4

: C11H6(2)H8O4

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 30℃;	100%

: 811-98-3
d(4)-methanol

: diphenyl(1-(p-tolyl)-9H-carbazol-9-yl)phosphine oxide

: methyl-d3 diphenylphosphinate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In 1,4-dioxane at 60℃;	100%

: 811-98-3
d(4)-methanol

: 128-39-2
2,6-di-tert-butylphenol

: (4-(2)H)-2,6-Di-tert-butylphenol

Conditions

Conditions	Yield
With sodium methoxide-d3 at 50℃; for 24h; Methylation; Substitution;	99%

: 811-98-3
d(4)-methanol

: 143885-03-4
isopropyloxy(diphenyl)-λ6-sulfanenitrile

A: 22731-83-5
S,S-diphenylsulphoximine

B: 29366-06-1
2-trideuteriomethoxy-propane

Conditions

Conditions	Yield
at 20℃; for 2h;	A n/a B 99%

...Expand

: 2-((E)-3-Phenyl-allyl)-2-prop-2-ynyl-propane-1,3-diol

: 811-98-3
d(4)-methanol

: C16H16(2)H6O3

Conditions

Conditions	Yield
bis(1,5-cyclooctadiene)diiridium(I) dichloride at 20℃; for 0.5h;	99%

: 811-98-3
d(4)-methanol

: tetrabutylammonium 2-(ammonio)nonahydro-closo-decaborate(1-)

: [Bu4N][1-D-6-D3N-B10H9]

Conditions

Conditions	Yield
In d(4)-methanol at room temp. for 1 wk; evapd. (vac.);	99%

: [tris(2-mercapto-1-phenylimidazolyl)hydroborato]ZnSCH2C(O)N(H)Ph

: 811-98-3
d(4)-methanol

: [tris(2-mercapto-1-phenylimidazolyl)hydroborato]ZnSCH2C(O)N(D)Ph

Conditions

Conditions	Yield
In chloroform-d1 a soln. of Zn complex treated with methanol-d4, kept at room temp. for ca. 30 min; evapd. (vac.);	99%

: 36075-44-2
quinazolin-4-ylhydrazine

: 811-98-3
d(4)-methanol

: 1044276-53-0
C9H5(2)H3N2O

Conditions

Conditions	Yield
With ammonium cerium (IV) nitrate at 20℃;	99%

: 864070-18-8
4-(5-bromo-2-chlorobenzyl)phenol

: 811-98-3
d(4)-methanol

: 1204219-82-8
4-bromo-1-chloro-2-(4-(methoxy-d3)benzyl)benzene

Conditions

Conditions	Yield
Stage #1: 4-(5-bromo-2-chlorobenzyl)phenol With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 30℃; for 0.5h; Stage #2: d(4)-methanol In tetrahydrofuran at 30℃;	99%

: 811-98-3
d(4)-methanol

: 128420-54-2
10-butyl-2-chloro-10,10a-dihydroacridin-9(8aH)-one

: 1448366-56-0
10-n-butyl-2-trideuteriomethoxyacridin-9(10H)-one

Conditions

Conditions	Yield
With t-BuBrettPhos; [(2-di-tert-butylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1’-biphenyl)-2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; sodium t-butanolate In 1,4-dioxane at 20℃; for 20h; Sealed tube; Inert atmosphere;	99%

: 811-98-3
d(4)-methanol

: C11H13BrN2O5

: C10H7(2)H2BrN2O4

Conditions

Conditions	Yield
at 23℃; for 1h; Inert atmosphere;	99%

: 811-98-3
d(4)-methanol

: 10290-42-3
1-diazo-4-phenyl-2-butanone

: C11H11(2)H3O2

Conditions

Conditions	Yield
With [(palladium)4]0.5 supported Na3[nickel(II)4[(copper(II))2(N,N'-2,4,6-trimethyl-1,3-phenylenebis(oxamate))2]]*56H2O In toluene at 80℃;	99%

: 811-98-3
d(4)-methanol

: C10H4(2)H4O3

: C11H4(2)H6O3

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 0 - 20℃; for 3h;	99%

: 811-98-3
d(4)-methanol

: 39687-95-1
isocyanoacetic acid methyl ester

: 37542-14-6
aurone

: C19H9(2)H6NO4

Conditions

Conditions	Yield
With sodium hydroxide at 20℃; for 12h;	99%

...Expand

: 811-98-3
d(4)-methanol

: 621-54-5
3-(3-hydroxyphenyl)-propanoic acid

: C10H6(2)H6O3

Conditions

Conditions	Yield
With sulfuric acid-d2 at 60℃; Sealed tube;	99%

: 121-32-4
4-hydroxy-3-ethoxybenzaldehyde

: 811-98-3
d(4)-methanol

: 1258598-02-5
3-ethoxy-4-(d3-methoxy)-benzaldehyde

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 30℃; for 2h;	99%

: 811-98-3
d(4)-methanol

: 109165-13-1
2-acetoxy-3,5-dibromobenzaldehyde

: 3,5-dibromo-2-hydroxybenzaldehyde (D6)dimethyl acetal

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane In chloroform-d1 for 0.05h;	98%

: 811-98-3
d(4)-methanol

: 98-59-9
p-toluenesulfonyl chloride

: 7575-93-1
methyl-d3 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at -5 - 0℃; for 6.5h;	98%
With sodium hydroxide In water; toluene at 0 - 40℃;	98%
With sodium hydroxide In tetrahydrofuran; water at 0℃; for 4h;	96%

: 811-98-3
d(4)-methanol

: 124-63-0
methanesulfonyl chloride

: 91419-94-2
[2H3]methyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 1h;	98%
With triethylamine In dichloromethane at -30℃; for 3h;	66%
Stage #1: d(4)-methanol With triethylamine In dichloromethane at -30℃; for 0.25h; Stage #2: methanesulfonyl chloride In dichloromethane at -30 - 20℃; for 1h;	49%
With triethylamine In dichloromethane at -30 - -20℃; for 1h;	43%

Methan-d3-ol-d Specification

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

Product Name

METHANOL-D4

Synthetic route

Methan-d3-ol-d Specification

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